USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 760 hydrogens (35 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2059 GLN : amide:sc= -5.65! C(o=-5.6!,f=-9.5!) USER MOD Set 1.2: A2060 GLN :FLIP amide:sc= 0.014 F(o=-6.2,f=-5.6) USER MOD Set 1.3: A2133 HIS : no HD1:sc= 0.0309 K(o=-5.6,f=-6.8) USER MOD Set 2.1: A2055 SER OG : rot 180:sc= 0.755 USER MOD Set 2.2: A2058 GLN : amide:sc= 0.0312 X(o=0.79,f=1.2) USER MOD Single : A2047 SER OG : rot -30:sc= 1.25 USER MOD Single : A2048 HIS : no HD1:sc= -0.0634 X(o=-0.063,f=-0.0053) USER MOD Single : A2049 MET CE :methyl -117:sc= -2.66! (180deg=-4.92!) USER MOD Single : A2052 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A2057 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A2061 GLN : amide:sc= -0.0222 X(o=-0.022,f=-0.022) USER MOD Single : A2062 THR OG1 : rot 76:sc= 0.211 USER MOD Single : A2065 THR OG1 : rot 78:sc= 1.29 USER MOD Single : A2071 THR OG1 : rot 157:sc= 0.603 USER MOD Single : A2073 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A2077 HIS : no HD1:sc= -1.45 K(o=-1.5,f=-3.5) USER MOD Single : A2078 HIS : no HD1:sc= -0.625 K(o=-0.62,f=-4.9!) USER MOD Single : A2079 THR OG1 : rot 180:sc= 0 USER MOD Single : A2082 SER OG : rot -41:sc= 0.63 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot -170:sc= -0.517 USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot -160:sc= 0.462 USER MOD Single : A2104 ASN : amide:sc= -0.605 K(o=-0.61,f=-1.2) USER MOD Single : A2105 THR OG1 : rot 73:sc= 1.21 USER MOD Single : A2107 THR OG1 : rot 91:sc= 0.986 USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN : amide:sc= 1.17 K(o=1.2,f=-0.03) USER MOD Single : A2110 THR OG1 : rot -93:sc= 1.2 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.722 USER MOD Single : A2122 HIS :FLIP no HD1:sc= -0.0472 F(o=-0.56,f=-0.047) USER MOD Single : A2124 THR OG1 : rot -70:sc= -0.358 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2129 THR OG1 : rot 73:sc= 0.347 USER MOD Single : A2130 GLN : amide:sc= -1.72! C(o=-1.7!,f=-6!) USER MOD Single : A2131 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-2.6!) USER MOD Single : A2134 THR OG1 : rot 71:sc= 1.25 USER MOD Single : A2137 THR OG1 : rot 170:sc= -2.87! USER MOD Single : A2138 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.85) USER MOD Single : A2139 SER OG : rot 180:sc= 0.514 USER MOD Single : A2140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A2046 10.717 -1.023 -9.121 1.00 6.58 N ATOM 2 CA GLY A2046 11.392 -2.243 -8.619 1.00 6.00 C ATOM 3 C GLY A2046 11.404 -2.301 -7.106 1.00 4.95 C ATOM 4 O GLY A2046 10.963 -1.364 -6.441 1.00 5.03 O ATOM 0 HA2 GLY A2046 10.886 -3.125 -9.012 1.00 6.00 H new ATOM 0 HA3 GLY A2046 12.416 -2.270 -8.991 1.00 6.00 H new ATOM 10 N SER A2047 11.916 -3.395 -6.558 1.00 4.27 N ATOM 11 CA SER A2047 11.946 -3.583 -5.116 1.00 3.35 C ATOM 12 C SER A2047 13.289 -3.150 -4.539 1.00 3.13 C ATOM 13 O SER A2047 13.533 -3.271 -3.342 1.00 3.47 O ATOM 14 CB SER A2047 11.674 -5.048 -4.774 1.00 3.02 C ATOM 15 OG SER A2047 10.545 -5.536 -5.482 1.00 3.54 O ATOM 0 H SER A2047 12.316 -4.166 -7.092 1.00 4.27 H new ATOM 0 HA SER A2047 11.168 -2.962 -4.672 1.00 3.35 H new ATOM 0 HB2 SER A2047 12.549 -5.650 -5.019 1.00 3.02 H new ATOM 0 HB3 SER A2047 11.507 -5.150 -3.702 1.00 3.02 H new ATOM 0 HG SER A2047 9.915 -4.802 -5.640 1.00 3.54 H new ATOM 21 N HIS A2048 14.154 -2.630 -5.395 1.00 3.12 N ATOM 22 CA HIS A2048 15.438 -2.098 -4.960 1.00 3.29 C ATOM 23 C HIS A2048 15.306 -0.613 -4.671 1.00 2.68 C ATOM 24 O HIS A2048 16.272 0.150 -4.712 1.00 3.15 O ATOM 25 CB HIS A2048 16.535 -2.392 -5.980 1.00 4.29 C ATOM 26 CG HIS A2048 16.902 -3.837 -6.006 1.00 5.00 C ATOM 27 ND1 HIS A2048 17.822 -4.378 -6.873 1.00 5.92 N ATOM 28 CD2 HIS A2048 16.455 -4.855 -5.245 1.00 5.21 C ATOM 29 CE1 HIS A2048 17.924 -5.675 -6.643 1.00 6.67 C ATOM 30 NE2 HIS A2048 17.104 -5.990 -5.657 1.00 6.28 N ATOM 0 H HIS A2048 13.990 -2.564 -6.400 1.00 3.12 H new ATOM 0 HA HIS A2048 15.735 -2.597 -4.037 1.00 3.29 H new ATOM 0 HB2 HIS A2048 16.200 -2.085 -6.971 1.00 4.29 H new ATOM 0 HB3 HIS A2048 17.418 -1.798 -5.744 1.00 4.29 H new ATOM 0 HD2 HIS A2048 15.721 -4.789 -4.456 1.00 5.21 H new ATOM 0 HE1 HIS A2048 18.569 -6.361 -7.172 1.00 6.67 H new ATOM 0 HE2 HIS A2048 16.975 -6.923 -5.267 1.00 6.28 H new ATOM 39 N MET A2049 14.070 -0.227 -4.395 1.00 2.16 N ATOM 40 CA MET A2049 13.723 1.104 -3.908 1.00 2.54 C ATOM 41 C MET A2049 14.292 1.365 -2.509 1.00 3.09 C ATOM 42 O MET A2049 13.810 2.236 -1.786 1.00 3.75 O ATOM 43 CB MET A2049 12.204 1.241 -3.869 1.00 2.76 C ATOM 44 CG MET A2049 11.516 0.052 -3.231 1.00 2.18 C ATOM 45 SD MET A2049 9.721 0.218 -3.178 1.00 2.91 S ATOM 46 CE MET A2049 9.238 -1.455 -2.749 1.00 2.37 C ATOM 0 H MET A2049 13.262 -0.840 -4.505 1.00 2.16 H new ATOM 0 HA MET A2049 14.158 1.837 -4.588 1.00 2.54 H new ATOM 0 HB2 MET A2049 11.941 2.144 -3.318 1.00 2.76 H new ATOM 0 HB3 MET A2049 11.830 1.367 -4.885 1.00 2.76 H new ATOM 0 HG2 MET A2049 11.775 -0.850 -3.785 1.00 2.18 H new ATOM 0 HG3 MET A2049 11.893 -0.077 -2.216 1.00 2.18 H new ATOM 0 HE1 MET A2049 8.645 -1.881 -3.558 1.00 2.37 H new ATOM 0 HE2 MET A2049 10.130 -2.062 -2.593 1.00 2.37 H new ATOM 0 HE3 MET A2049 8.645 -1.439 -1.834 1.00 2.37 H new ATOM 56 N ARG A2050 15.302 0.598 -2.125 1.00 3.38 N ATOM 57 CA ARG A2050 15.845 0.669 -0.783 1.00 4.33 C ATOM 58 C ARG A2050 16.915 1.745 -0.686 1.00 4.19 C ATOM 59 O ARG A2050 16.869 2.611 0.187 1.00 4.88 O ATOM 60 CB ARG A2050 16.452 -0.670 -0.395 1.00 5.36 C ATOM 61 CG ARG A2050 15.579 -1.849 -0.760 1.00 6.15 C ATOM 62 CD ARG A2050 15.892 -3.035 0.115 1.00 6.73 C ATOM 63 NE ARG A2050 17.242 -3.549 -0.104 1.00 7.76 N ATOM 64 CZ ARG A2050 17.985 -4.106 0.848 1.00 8.52 C ATOM 65 NH1 ARG A2050 17.520 -4.206 2.088 1.00 8.48 N ATOM 66 NH2 ARG A2050 19.196 -4.561 0.562 1.00 9.54 N ATOM 0 H ARG A2050 15.762 -0.083 -2.730 1.00 3.38 H new ATOM 0 HA ARG A2050 15.030 0.918 -0.104 1.00 4.33 H new ATOM 0 HB2 ARG A2050 17.420 -0.778 -0.884 1.00 5.36 H new ATOM 0 HB3 ARG A2050 16.635 -0.681 0.679 1.00 5.36 H new ATOM 0 HG2 ARG A2050 14.529 -1.578 -0.651 1.00 6.15 H new ATOM 0 HG3 ARG A2050 15.734 -2.112 -1.806 1.00 6.15 H new ATOM 0 HD2 ARG A2050 15.780 -2.751 1.161 1.00 6.73 H new ATOM 0 HD3 ARG A2050 15.169 -3.827 -0.079 1.00 6.73 H new ATOM 0 HE ARG A2050 17.638 -3.476 -1.041 1.00 7.76 H new ATOM 0 HH11 ARG A2050 16.589 -3.855 2.314 1.00 8.48 H new ATOM 0 HH12 ARG A2050 18.094 -4.634 2.815 1.00 8.48 H new ATOM 0 HH21 ARG A2050 19.558 -4.484 -0.388 1.00 9.54 H new ATOM 0 HH22 ARG A2050 19.766 -4.988 1.292 1.00 9.54 H new ATOM 80 N LEU A2051 17.874 1.683 -1.600 1.00 3.64 N ATOM 81 CA LEU A2051 19.022 2.579 -1.567 1.00 3.84 C ATOM 82 C LEU A2051 19.041 3.502 -2.776 1.00 3.17 C ATOM 83 O LEU A2051 19.628 4.587 -2.729 1.00 3.42 O ATOM 84 CB LEU A2051 20.318 1.766 -1.531 1.00 4.74 C ATOM 85 CG LEU A2051 20.447 0.777 -0.371 1.00 5.66 C ATOM 86 CD1 LEU A2051 21.726 -0.034 -0.513 1.00 6.21 C ATOM 87 CD2 LEU A2051 20.426 1.507 0.961 1.00 6.31 C ATOM 0 H LEU A2051 17.880 1.020 -2.375 1.00 3.64 H new ATOM 0 HA LEU A2051 18.941 3.190 -0.668 1.00 3.84 H new ATOM 0 HB2 LEU A2051 20.405 1.214 -2.467 1.00 4.74 H new ATOM 0 HB3 LEU A2051 21.159 2.458 -1.490 1.00 4.74 H new ATOM 0 HG LEU A2051 19.596 0.097 -0.400 1.00 5.66 H new ATOM 0 HD11 LEU A2051 21.807 -0.734 0.318 1.00 6.21 H new ATOM 0 HD12 LEU A2051 21.704 -0.587 -1.452 1.00 6.21 H new ATOM 0 HD13 LEU A2051 22.585 0.637 -0.507 1.00 6.21 H new ATOM 0 HD21 LEU A2051 20.519 0.786 1.773 1.00 6.31 H new ATOM 0 HD22 LEU A2051 21.258 2.210 1.004 1.00 6.31 H new ATOM 0 HD23 LEU A2051 19.486 2.050 1.064 1.00 6.31 H new ATOM 99 N ASN A2052 18.408 3.075 -3.862 1.00 2.84 N ATOM 100 CA ASN A2052 18.451 3.840 -5.099 1.00 3.03 C ATOM 101 C ASN A2052 17.505 5.030 -5.029 1.00 2.88 C ATOM 102 O ASN A2052 16.286 4.864 -4.956 1.00 2.92 O ATOM 103 CB ASN A2052 18.075 2.953 -6.291 1.00 3.65 C ATOM 104 CG ASN A2052 18.107 3.704 -7.610 1.00 4.17 C ATOM 105 OD1 ASN A2052 18.904 4.624 -7.797 1.00 4.47 O ATOM 106 ND2 ASN A2052 17.238 3.325 -8.532 1.00 4.71 N ATOM 0 H ASN A2052 17.865 2.213 -3.911 1.00 2.84 H new ATOM 0 HA ASN A2052 19.469 4.206 -5.233 1.00 3.03 H new ATOM 0 HB2 ASN A2052 18.762 2.108 -6.341 1.00 3.65 H new ATOM 0 HB3 ASN A2052 17.077 2.544 -6.134 1.00 3.65 H new ATOM 0 HD21 ASN A2052 17.213 3.799 -9.435 1.00 4.71 H new ATOM 0 HD22 ASN A2052 16.593 2.558 -8.341 1.00 4.71 H new ATOM 113 N GLY A2053 18.088 6.225 -5.073 1.00 3.23 N ATOM 114 CA GLY A2053 17.326 7.467 -5.069 1.00 3.43 C ATOM 115 C GLY A2053 16.602 7.756 -3.760 1.00 2.89 C ATOM 116 O GLY A2053 16.455 8.914 -3.372 1.00 2.97 O ATOM 0 H GLY A2053 19.099 6.358 -5.112 1.00 3.23 H new ATOM 0 HA2 GLY A2053 18.001 8.294 -5.287 1.00 3.43 H new ATOM 0 HA3 GLY A2053 16.594 7.432 -5.875 1.00 3.43 H new ATOM 120 N LEU A2054 16.165 6.713 -3.073 1.00 2.44 N ATOM 121 CA LEU A2054 15.373 6.854 -1.874 1.00 2.06 C ATOM 122 C LEU A2054 16.183 6.665 -0.600 1.00 1.93 C ATOM 123 O LEU A2054 17.091 5.835 -0.525 1.00 2.10 O ATOM 124 CB LEU A2054 14.248 5.831 -1.915 1.00 1.96 C ATOM 125 CG LEU A2054 12.874 6.354 -2.339 1.00 2.68 C ATOM 126 CD1 LEU A2054 12.989 7.450 -3.390 1.00 3.19 C ATOM 127 CD2 LEU A2054 12.041 5.203 -2.863 1.00 3.31 C ATOM 0 H LEU A2054 16.353 5.746 -3.336 1.00 2.44 H new ATOM 0 HA LEU A2054 14.984 7.872 -1.851 1.00 2.06 H new ATOM 0 HB2 LEU A2054 14.536 5.032 -2.598 1.00 1.96 H new ATOM 0 HB3 LEU A2054 14.154 5.385 -0.925 1.00 1.96 H new ATOM 0 HG LEU A2054 12.388 6.793 -1.468 1.00 2.68 H new ATOM 0 HD11 LEU A2054 11.993 7.796 -3.666 1.00 3.19 H new ATOM 0 HD12 LEU A2054 13.563 8.283 -2.985 1.00 3.19 H new ATOM 0 HD13 LEU A2054 13.493 7.056 -4.272 1.00 3.19 H new ATOM 0 HD21 LEU A2054 11.061 5.572 -3.166 1.00 3.31 H new ATOM 0 HD22 LEU A2054 12.541 4.753 -3.721 1.00 3.31 H new ATOM 0 HD23 LEU A2054 11.921 4.455 -2.080 1.00 3.31 H new ATOM 139 N SER A2055 15.846 7.474 0.384 1.00 1.75 N ATOM 140 CA SER A2055 16.276 7.272 1.750 1.00 1.71 C ATOM 141 C SER A2055 15.143 6.575 2.505 1.00 1.44 C ATOM 142 O SER A2055 14.037 6.486 1.969 1.00 1.25 O ATOM 143 CB SER A2055 16.593 8.632 2.379 1.00 1.78 C ATOM 144 OG SER A2055 15.470 9.496 2.299 1.00 2.08 O ATOM 0 H SER A2055 15.260 8.299 0.255 1.00 1.75 H new ATOM 0 HA SER A2055 17.173 6.655 1.793 1.00 1.71 H new ATOM 0 HB2 SER A2055 16.881 8.498 3.422 1.00 1.78 H new ATOM 0 HB3 SER A2055 17.443 9.085 1.869 1.00 1.78 H new ATOM 0 HG SER A2055 15.692 10.359 2.707 1.00 2.08 H new ATOM 150 N PRO A2056 15.383 6.051 3.725 1.00 1.48 N ATOM 151 CA PRO A2056 14.328 5.437 4.543 1.00 1.29 C ATOM 152 C PRO A2056 13.018 6.230 4.519 1.00 1.09 C ATOM 153 O PRO A2056 11.936 5.658 4.352 1.00 0.87 O ATOM 154 CB PRO A2056 14.940 5.441 5.939 1.00 1.53 C ATOM 155 CG PRO A2056 16.403 5.286 5.702 1.00 1.78 C ATOM 156 CD PRO A2056 16.699 5.976 4.392 1.00 1.78 C ATOM 0 HA PRO A2056 14.049 4.447 4.181 1.00 1.29 H new ATOM 0 HB2 PRO A2056 14.719 6.368 6.467 1.00 1.53 H new ATOM 0 HB3 PRO A2056 14.547 4.626 6.547 1.00 1.53 H new ATOM 0 HG2 PRO A2056 16.977 5.732 6.514 1.00 1.78 H new ATOM 0 HG3 PRO A2056 16.680 4.233 5.657 1.00 1.78 H new ATOM 0 HD2 PRO A2056 17.124 6.967 4.550 1.00 1.78 H new ATOM 0 HD3 PRO A2056 17.417 5.412 3.797 1.00 1.78 H new ATOM 164 N GLN A2057 13.127 7.549 4.662 1.00 1.22 N ATOM 165 CA GLN A2057 11.965 8.431 4.607 1.00 1.17 C ATOM 166 C GLN A2057 11.351 8.452 3.209 1.00 1.01 C ATOM 167 O GLN A2057 10.147 8.253 3.053 1.00 0.95 O ATOM 168 CB GLN A2057 12.343 9.847 5.016 1.00 1.44 C ATOM 169 CG GLN A2057 12.778 9.968 6.465 1.00 1.66 C ATOM 170 CD GLN A2057 13.180 11.383 6.829 1.00 2.02 C ATOM 171 OE1 GLN A2057 13.679 12.137 5.989 1.00 2.32 O ATOM 172 NE2 GLN A2057 12.964 11.756 8.078 1.00 2.40 N ATOM 0 H GLN A2057 14.012 8.031 4.817 1.00 1.22 H new ATOM 0 HA GLN A2057 11.227 8.040 5.307 1.00 1.17 H new ATOM 0 HB2 GLN A2057 13.150 10.198 4.373 1.00 1.44 H new ATOM 0 HB3 GLN A2057 11.491 10.505 4.846 1.00 1.44 H new ATOM 0 HG2 GLN A2057 11.964 9.646 7.114 1.00 1.66 H new ATOM 0 HG3 GLN A2057 13.617 9.296 6.647 1.00 1.66 H new ATOM 0 HE21 GLN A2057 12.549 11.101 8.741 1.00 2.40 H new ATOM 0 HE22 GLN A2057 13.212 12.698 8.379 1.00 2.40 H new ATOM 181 N GLN A2058 12.189 8.676 2.197 1.00 1.07 N ATOM 182 CA GLN A2058 11.726 8.768 0.811 1.00 1.08 C ATOM 183 C GLN A2058 10.980 7.512 0.383 1.00 0.89 C ATOM 184 O GLN A2058 10.031 7.587 -0.401 1.00 0.84 O ATOM 185 CB GLN A2058 12.899 9.008 -0.135 1.00 1.36 C ATOM 186 CG GLN A2058 13.454 10.418 -0.081 1.00 1.58 C ATOM 187 CD GLN A2058 14.677 10.601 -0.953 1.00 1.86 C ATOM 188 OE1 GLN A2058 14.570 10.922 -2.135 1.00 2.40 O ATOM 189 NE2 GLN A2058 15.849 10.422 -0.369 1.00 2.23 N ATOM 0 H GLN A2058 13.195 8.798 2.311 1.00 1.07 H new ATOM 0 HA GLN A2058 11.039 9.612 0.758 1.00 1.08 H new ATOM 0 HB2 GLN A2058 13.696 8.305 0.105 1.00 1.36 H new ATOM 0 HB3 GLN A2058 12.580 8.792 -1.155 1.00 1.36 H new ATOM 0 HG2 GLN A2058 12.681 11.120 -0.395 1.00 1.58 H new ATOM 0 HG3 GLN A2058 13.708 10.664 0.950 1.00 1.58 H new ATOM 0 HE21 GLN A2058 15.893 10.156 0.615 1.00 2.23 H new ATOM 0 HE22 GLN A2058 16.709 10.550 -0.902 1.00 2.23 H new ATOM 198 N GLN A2059 11.420 6.361 0.881 1.00 0.87 N ATOM 199 CA GLN A2059 10.717 5.116 0.643 1.00 0.75 C ATOM 200 C GLN A2059 9.277 5.249 1.102 1.00 0.58 C ATOM 201 O GLN A2059 8.354 5.125 0.309 1.00 0.54 O ATOM 202 CB GLN A2059 11.386 3.967 1.388 1.00 0.80 C ATOM 203 CG GLN A2059 12.859 3.795 1.071 1.00 1.17 C ATOM 204 CD GLN A2059 13.485 2.680 1.877 1.00 1.86 C ATOM 205 OE1 GLN A2059 13.947 2.892 2.996 1.00 2.83 O ATOM 206 NE2 GLN A2059 13.513 1.486 1.316 1.00 1.87 N ATOM 0 H GLN A2059 12.261 6.270 1.451 1.00 0.87 H new ATOM 0 HA GLN A2059 10.745 4.901 -0.425 1.00 0.75 H new ATOM 0 HB2 GLN A2059 11.273 4.129 2.460 1.00 0.80 H new ATOM 0 HB3 GLN A2059 10.864 3.041 1.149 1.00 0.80 H new ATOM 0 HG2 GLN A2059 12.979 3.586 0.008 1.00 1.17 H new ATOM 0 HG3 GLN A2059 13.385 4.728 1.273 1.00 1.17 H new ATOM 0 HE21 GLN A2059 13.119 1.351 0.385 1.00 1.87 H new ATOM 0 HE22 GLN A2059 13.929 0.698 1.813 1.00 1.87 H new ATOM 215 N GLN A2060 9.098 5.533 2.387 1.00 0.54 N ATOM 216 CA GLN A2060 7.775 5.694 2.964 1.00 0.45 C ATOM 217 C GLN A2060 6.948 6.735 2.218 1.00 0.44 C ATOM 218 O GLN A2060 5.755 6.552 2.041 1.00 0.42 O ATOM 219 CB GLN A2060 7.894 6.059 4.435 1.00 0.55 C ATOM 220 CG GLN A2060 8.501 4.940 5.249 1.00 0.57 C ATOM 221 CD GLN A2060 8.601 5.238 6.728 1.00 0.81 C ATOM 222 OE1 GLN A2060 8.875 6.481 7.071 1.00 1.38 O flip ATOM 223 NE2 GLN A2060 8.464 4.342 7.557 1.00 1.01 N flip ATOM 0 H GLN A2060 9.862 5.657 3.051 1.00 0.54 H new ATOM 0 HA GLN A2060 7.252 4.743 2.869 1.00 0.45 H new ATOM 0 HB2 GLN A2060 8.506 6.955 4.538 1.00 0.55 H new ATOM 0 HB3 GLN A2060 6.907 6.300 4.830 1.00 0.55 H new ATOM 0 HG2 GLN A2060 7.904 4.039 5.110 1.00 0.57 H new ATOM 0 HG3 GLN A2060 9.498 4.724 4.864 1.00 0.57 H new ATOM 0 HE21 GLN A2060 8.252 3.392 7.251 1.00 1.01 H new ATOM 0 HE22 GLN A2060 8.562 4.548 8.551 1.00 1.01 H new ATOM 232 N GLN A2061 7.577 7.819 1.779 1.00 0.58 N ATOM 233 CA GLN A2061 6.881 8.825 0.983 1.00 0.61 C ATOM 234 C GLN A2061 6.336 8.198 -0.290 1.00 0.51 C ATOM 235 O GLN A2061 5.142 8.285 -0.583 1.00 0.45 O ATOM 236 CB GLN A2061 7.830 9.955 0.618 1.00 0.83 C ATOM 237 CG GLN A2061 8.492 10.596 1.814 1.00 0.89 C ATOM 238 CD GLN A2061 7.515 11.331 2.703 1.00 1.29 C ATOM 239 OE1 GLN A2061 6.949 10.760 3.636 1.00 1.75 O ATOM 240 NE2 GLN A2061 7.315 12.600 2.420 1.00 1.97 N ATOM 0 H GLN A2061 8.560 8.024 1.958 1.00 0.58 H new ATOM 0 HA GLN A2061 6.056 9.223 1.574 1.00 0.61 H new ATOM 0 HB2 GLN A2061 8.600 9.570 -0.051 1.00 0.83 H new ATOM 0 HB3 GLN A2061 7.280 10.717 0.066 1.00 0.83 H new ATOM 0 HG2 GLN A2061 8.999 9.828 2.397 1.00 0.89 H new ATOM 0 HG3 GLN A2061 9.257 11.292 1.470 1.00 0.89 H new ATOM 0 HE21 GLN A2061 7.806 13.031 1.637 1.00 1.97 H new ATOM 0 HE22 GLN A2061 6.669 13.152 2.984 1.00 1.97 H new ATOM 249 N THR A2062 7.233 7.577 -1.038 1.00 0.53 N ATOM 250 CA THR A2062 6.872 6.828 -2.237 1.00 0.50 C ATOM 251 C THR A2062 5.742 5.839 -1.953 1.00 0.39 C ATOM 252 O THR A2062 4.678 5.902 -2.566 1.00 0.42 O ATOM 253 CB THR A2062 8.088 6.053 -2.778 1.00 0.59 C ATOM 254 OG1 THR A2062 9.131 6.969 -3.136 1.00 0.74 O ATOM 255 CG2 THR A2062 7.702 5.195 -3.977 1.00 0.83 C ATOM 0 H THR A2062 8.232 7.576 -0.834 1.00 0.53 H new ATOM 0 HA THR A2062 6.535 7.550 -2.981 1.00 0.50 H new ATOM 0 HB THR A2062 8.449 5.389 -1.993 1.00 0.59 H new ATOM 0 HG1 THR A2062 9.568 7.301 -2.324 1.00 0.74 H new ATOM 0 HG21 THR A2062 8.580 4.659 -4.338 1.00 0.83 H new ATOM 0 HG22 THR A2062 6.936 4.479 -3.680 1.00 0.83 H new ATOM 0 HG23 THR A2062 7.314 5.833 -4.771 1.00 0.83 H new ATOM 263 N LEU A2063 5.994 4.935 -1.018 1.00 0.37 N ATOM 264 CA LEU A2063 5.047 3.917 -0.616 1.00 0.29 C ATOM 265 C LEU A2063 3.706 4.515 -0.194 1.00 0.22 C ATOM 266 O LEU A2063 2.652 3.997 -0.564 1.00 0.21 O ATOM 267 CB LEU A2063 5.671 3.110 0.523 1.00 0.30 C ATOM 268 CG LEU A2063 6.723 2.068 0.104 1.00 0.53 C ATOM 269 CD1 LEU A2063 7.679 2.597 -0.960 1.00 0.92 C ATOM 270 CD2 LEU A2063 7.511 1.601 1.322 1.00 0.79 C ATOM 0 H LEU A2063 6.878 4.891 -0.512 1.00 0.37 H new ATOM 0 HA LEU A2063 4.836 3.268 -1.466 1.00 0.29 H new ATOM 0 HB2 LEU A2063 6.133 3.804 1.225 1.00 0.30 H new ATOM 0 HB3 LEU A2063 4.873 2.598 1.060 1.00 0.30 H new ATOM 0 HG LEU A2063 6.184 1.228 -0.334 1.00 0.53 H new ATOM 0 HD11 LEU A2063 8.400 1.822 -1.219 1.00 0.92 H new ATOM 0 HD12 LEU A2063 7.114 2.879 -1.849 1.00 0.92 H new ATOM 0 HD13 LEU A2063 8.207 3.469 -0.574 1.00 0.92 H new ATOM 0 HD21 LEU A2063 8.253 0.864 1.015 1.00 0.79 H new ATOM 0 HD22 LEU A2063 8.014 2.453 1.779 1.00 0.79 H new ATOM 0 HD23 LEU A2063 6.831 1.151 2.045 1.00 0.79 H new ATOM 282 N ALA A2064 3.748 5.608 0.564 1.00 0.25 N ATOM 283 CA ALA A2064 2.535 6.289 1.012 1.00 0.27 C ATOM 284 C ALA A2064 1.790 6.908 -0.161 1.00 0.25 C ATOM 285 O ALA A2064 0.569 7.036 -0.134 1.00 0.30 O ATOM 286 CB ALA A2064 2.867 7.357 2.041 1.00 0.37 C ATOM 0 H ALA A2064 4.614 6.043 0.882 1.00 0.25 H new ATOM 0 HA ALA A2064 1.888 5.544 1.476 1.00 0.27 H new ATOM 0 HB1 ALA A2064 1.950 7.852 2.361 1.00 0.37 H new ATOM 0 HB2 ALA A2064 3.350 6.895 2.902 1.00 0.37 H new ATOM 0 HB3 ALA A2064 3.540 8.092 1.599 1.00 0.37 H new ATOM 292 N THR A2065 2.527 7.282 -1.195 1.00 0.24 N ATOM 293 CA THR A2065 1.925 7.858 -2.384 1.00 0.27 C ATOM 294 C THR A2065 1.362 6.741 -3.250 1.00 0.24 C ATOM 295 O THR A2065 0.312 6.882 -3.879 1.00 0.29 O ATOM 296 CB THR A2065 2.950 8.672 -3.192 1.00 0.35 C ATOM 297 OG1 THR A2065 3.610 9.615 -2.336 1.00 0.40 O ATOM 298 CG2 THR A2065 2.278 9.415 -4.339 1.00 0.42 C ATOM 0 H THR A2065 3.543 7.196 -1.234 1.00 0.24 H new ATOM 0 HA THR A2065 1.127 8.533 -2.075 1.00 0.27 H new ATOM 0 HB THR A2065 3.680 7.977 -3.608 1.00 0.35 H new ATOM 0 HG1 THR A2065 4.288 9.152 -1.800 1.00 0.40 H new ATOM 0 HG21 THR A2065 3.026 9.982 -4.893 1.00 0.42 H new ATOM 0 HG22 THR A2065 1.799 8.698 -5.006 1.00 0.42 H new ATOM 0 HG23 THR A2065 1.527 10.097 -3.940 1.00 0.42 H new ATOM 306 N LEU A2066 2.075 5.625 -3.251 1.00 0.21 N ATOM 307 CA LEU A2066 1.664 4.434 -3.968 1.00 0.21 C ATOM 308 C LEU A2066 0.339 3.918 -3.445 1.00 0.18 C ATOM 309 O LEU A2066 -0.640 3.879 -4.172 1.00 0.20 O ATOM 310 CB LEU A2066 2.727 3.348 -3.823 1.00 0.24 C ATOM 311 CG LEU A2066 2.297 1.951 -4.281 1.00 0.30 C ATOM 312 CD1 LEU A2066 1.729 1.985 -5.695 1.00 0.37 C ATOM 313 CD2 LEU A2066 3.472 0.992 -4.198 1.00 0.36 C ATOM 0 H LEU A2066 2.958 5.523 -2.751 1.00 0.21 H new ATOM 0 HA LEU A2066 1.545 4.693 -5.020 1.00 0.21 H new ATOM 0 HB2 LEU A2066 3.607 3.645 -4.393 1.00 0.24 H new ATOM 0 HB3 LEU A2066 3.028 3.294 -2.777 1.00 0.24 H new ATOM 0 HG LEU A2066 1.508 1.600 -3.616 1.00 0.30 H new ATOM 0 HD11 LEU A2066 1.433 0.979 -5.992 1.00 0.37 H new ATOM 0 HD12 LEU A2066 0.860 2.642 -5.722 1.00 0.37 H new ATOM 0 HD13 LEU A2066 2.488 2.358 -6.383 1.00 0.37 H new ATOM 0 HD21 LEU A2066 3.157 0.001 -4.526 1.00 0.36 H new ATOM 0 HD22 LEU A2066 4.278 1.347 -4.840 1.00 0.36 H new ATOM 0 HD23 LEU A2066 3.826 0.938 -3.168 1.00 0.36 H new ATOM 325 N VAL A2067 0.328 3.519 -2.184 1.00 0.17 N ATOM 326 CA VAL A2067 -0.875 2.977 -1.561 1.00 0.18 C ATOM 327 C VAL A2067 -2.049 3.951 -1.685 1.00 0.19 C ATOM 328 O VAL A2067 -3.184 3.543 -1.929 1.00 0.22 O ATOM 329 CB VAL A2067 -0.626 2.625 -0.080 1.00 0.21 C ATOM 330 CG1 VAL A2067 -0.119 3.827 0.701 1.00 0.51 C ATOM 331 CG2 VAL A2067 -1.891 2.085 0.549 1.00 0.64 C ATOM 0 H VAL A2067 1.140 3.559 -1.567 1.00 0.17 H new ATOM 0 HA VAL A2067 -1.132 2.061 -2.092 1.00 0.18 H new ATOM 0 HB VAL A2067 0.146 1.856 -0.044 1.00 0.21 H new ATOM 0 HG11 VAL A2067 0.046 3.543 1.740 1.00 0.51 H new ATOM 0 HG12 VAL A2067 0.819 4.174 0.267 1.00 0.51 H new ATOM 0 HG13 VAL A2067 -0.857 4.628 0.657 1.00 0.51 H new ATOM 0 HG21 VAL A2067 -1.702 1.840 1.594 1.00 0.64 H new ATOM 0 HG22 VAL A2067 -2.677 2.838 0.489 1.00 0.64 H new ATOM 0 HG23 VAL A2067 -2.207 1.187 0.018 1.00 0.64 H new ATOM 341 N ALA A2068 -1.758 5.235 -1.533 1.00 0.19 N ATOM 342 CA ALA A2068 -2.751 6.282 -1.710 1.00 0.23 C ATOM 343 C ALA A2068 -3.322 6.263 -3.124 1.00 0.23 C ATOM 344 O ALA A2068 -4.535 6.204 -3.309 1.00 0.29 O ATOM 345 CB ALA A2068 -2.138 7.639 -1.411 1.00 0.27 C ATOM 0 H ALA A2068 -0.830 5.578 -1.284 1.00 0.19 H new ATOM 0 HA ALA A2068 -3.568 6.098 -1.012 1.00 0.23 H new ATOM 0 HB1 ALA A2068 -2.890 8.416 -1.547 1.00 0.27 H new ATOM 0 HB2 ALA A2068 -1.779 7.657 -0.382 1.00 0.27 H new ATOM 0 HB3 ALA A2068 -1.304 7.819 -2.089 1.00 0.27 H new ATOM 351 N ALA A2069 -2.444 6.303 -4.119 1.00 0.20 N ATOM 352 CA ALA A2069 -2.865 6.267 -5.513 1.00 0.22 C ATOM 353 C ALA A2069 -3.528 4.944 -5.832 1.00 0.23 C ATOM 354 O ALA A2069 -4.489 4.889 -6.598 1.00 0.29 O ATOM 355 CB ALA A2069 -1.679 6.509 -6.429 1.00 0.25 C ATOM 0 H ALA A2069 -1.434 6.360 -3.985 1.00 0.20 H new ATOM 0 HA ALA A2069 -3.593 7.061 -5.677 1.00 0.22 H new ATOM 0 HB1 ALA A2069 -2.009 6.479 -7.467 1.00 0.25 H new ATOM 0 HB2 ALA A2069 -1.246 7.486 -6.214 1.00 0.25 H new ATOM 0 HB3 ALA A2069 -0.929 5.736 -6.265 1.00 0.25 H new ATOM 361 N ALA A2070 -3.018 3.887 -5.224 1.00 0.21 N ATOM 362 CA ALA A2070 -3.576 2.565 -5.382 1.00 0.24 C ATOM 363 C ALA A2070 -5.022 2.550 -4.908 1.00 0.26 C ATOM 364 O ALA A2070 -5.936 2.355 -5.704 1.00 0.34 O ATOM 365 CB ALA A2070 -2.742 1.548 -4.626 1.00 0.25 C ATOM 0 H ALA A2070 -2.206 3.926 -4.608 1.00 0.21 H new ATOM 0 HA ALA A2070 -3.560 2.295 -6.438 1.00 0.24 H new ATOM 0 HB1 ALA A2070 -3.174 0.556 -4.754 1.00 0.25 H new ATOM 0 HB2 ALA A2070 -1.723 1.553 -5.013 1.00 0.25 H new ATOM 0 HB3 ALA A2070 -2.728 1.804 -3.567 1.00 0.25 H new ATOM 371 N THR A2071 -5.222 2.832 -3.623 1.00 0.24 N ATOM 372 CA THR A2071 -6.547 2.784 -3.015 1.00 0.28 C ATOM 373 C THR A2071 -7.495 3.775 -3.671 1.00 0.31 C ATOM 374 O THR A2071 -8.700 3.527 -3.778 1.00 0.37 O ATOM 375 CB THR A2071 -6.476 3.057 -1.496 1.00 0.30 C ATOM 376 OG1 THR A2071 -7.699 2.664 -0.868 1.00 0.38 O ATOM 377 CG2 THR A2071 -6.211 4.526 -1.193 1.00 0.29 C ATOM 0 H THR A2071 -4.477 3.098 -2.979 1.00 0.24 H new ATOM 0 HA THR A2071 -6.934 1.777 -3.173 1.00 0.28 H new ATOM 0 HB THR A2071 -5.645 2.471 -1.102 1.00 0.30 H new ATOM 0 HG1 THR A2071 -7.537 2.490 0.083 1.00 0.38 H new ATOM 0 HG21 THR A2071 -6.169 4.673 -0.114 1.00 0.29 H new ATOM 0 HG22 THR A2071 -5.261 4.823 -1.637 1.00 0.29 H new ATOM 0 HG23 THR A2071 -7.013 5.134 -1.611 1.00 0.29 H new ATOM 385 N ALA A2072 -6.952 4.891 -4.119 1.00 0.31 N ATOM 386 CA ALA A2072 -7.761 5.904 -4.753 1.00 0.40 C ATOM 387 C ALA A2072 -8.219 5.459 -6.129 1.00 0.42 C ATOM 388 O ALA A2072 -9.263 5.890 -6.596 1.00 0.54 O ATOM 389 CB ALA A2072 -7.020 7.226 -4.837 1.00 0.47 C ATOM 0 H ALA A2072 -5.959 5.115 -4.054 1.00 0.31 H new ATOM 0 HA ALA A2072 -8.646 6.051 -4.133 1.00 0.40 H new ATOM 0 HB1 ALA A2072 -7.655 7.969 -5.319 1.00 0.47 H new ATOM 0 HB2 ALA A2072 -6.764 7.564 -3.833 1.00 0.47 H new ATOM 0 HB3 ALA A2072 -6.108 7.095 -5.419 1.00 0.47 H new ATOM 395 N THR A2073 -7.451 4.579 -6.760 1.00 0.36 N ATOM 396 CA THR A2073 -7.773 4.110 -8.101 1.00 0.40 C ATOM 397 C THR A2073 -8.693 2.890 -8.064 1.00 0.29 C ATOM 398 O THR A2073 -9.548 2.731 -8.937 1.00 0.34 O ATOM 399 CB THR A2073 -6.496 3.785 -8.904 1.00 0.49 C ATOM 400 OG1 THR A2073 -5.642 4.936 -8.942 1.00 0.60 O ATOM 401 CG2 THR A2073 -6.829 3.363 -10.327 1.00 0.58 C ATOM 0 H THR A2073 -6.601 4.176 -6.364 1.00 0.36 H new ATOM 0 HA THR A2073 -8.301 4.921 -8.602 1.00 0.40 H new ATOM 0 HB THR A2073 -5.989 2.958 -8.408 1.00 0.49 H new ATOM 0 HG1 THR A2073 -5.145 5.003 -8.100 1.00 0.60 H new ATOM 0 HG21 THR A2073 -5.908 3.141 -10.866 1.00 0.58 H new ATOM 0 HG22 THR A2073 -7.459 2.474 -10.305 1.00 0.58 H new ATOM 0 HG23 THR A2073 -7.359 4.171 -10.832 1.00 0.58 H new ATOM 409 N VAL A2074 -8.542 2.042 -7.045 1.00 0.20 N ATOM 410 CA VAL A2074 -9.402 0.862 -6.911 1.00 0.22 C ATOM 411 C VAL A2074 -10.853 1.314 -6.785 1.00 0.27 C ATOM 412 O VAL A2074 -11.773 0.686 -7.310 1.00 0.41 O ATOM 413 CB VAL A2074 -9.020 -0.037 -5.694 1.00 0.27 C ATOM 414 CG1 VAL A2074 -7.533 -0.029 -5.471 1.00 0.78 C ATOM 415 CG2 VAL A2074 -9.718 0.374 -4.414 1.00 0.72 C ATOM 0 H VAL A2074 -7.843 2.146 -6.309 1.00 0.20 H new ATOM 0 HA VAL A2074 -9.263 0.254 -7.805 1.00 0.22 H new ATOM 0 HB VAL A2074 -9.354 -1.043 -5.946 1.00 0.27 H new ATOM 0 HG11 VAL A2074 -7.290 -0.662 -4.618 1.00 0.78 H new ATOM 0 HG12 VAL A2074 -7.030 -0.409 -6.360 1.00 0.78 H new ATOM 0 HG13 VAL A2074 -7.200 0.990 -5.273 1.00 0.78 H new ATOM 0 HG21 VAL A2074 -9.412 -0.288 -3.604 1.00 0.72 H new ATOM 0 HG22 VAL A2074 -9.448 1.400 -4.166 1.00 0.72 H new ATOM 0 HG23 VAL A2074 -10.797 0.306 -4.550 1.00 0.72 H new ATOM 425 N LEU A2075 -11.034 2.414 -6.071 1.00 0.27 N ATOM 426 CA LEU A2075 -12.343 3.038 -5.927 1.00 0.37 C ATOM 427 C LEU A2075 -12.578 4.088 -7.014 1.00 0.42 C ATOM 428 O LEU A2075 -13.705 4.263 -7.470 1.00 1.24 O ATOM 429 CB LEU A2075 -12.477 3.672 -4.539 1.00 0.44 C ATOM 430 CG LEU A2075 -12.242 2.712 -3.368 1.00 0.51 C ATOM 431 CD1 LEU A2075 -12.547 3.388 -2.045 1.00 0.89 C ATOM 432 CD2 LEU A2075 -13.077 1.454 -3.535 1.00 1.04 C ATOM 0 H LEU A2075 -10.284 2.898 -5.577 1.00 0.27 H new ATOM 0 HA LEU A2075 -13.101 2.263 -6.038 1.00 0.37 H new ATOM 0 HB2 LEU A2075 -11.769 4.497 -4.462 1.00 0.44 H new ATOM 0 HB3 LEU A2075 -13.475 4.099 -4.445 1.00 0.44 H new ATOM 0 HG LEU A2075 -11.190 2.428 -3.366 1.00 0.51 H new ATOM 0 HD11 LEU A2075 -12.373 2.686 -1.229 1.00 0.89 H new ATOM 0 HD12 LEU A2075 -11.899 4.256 -1.922 1.00 0.89 H new ATOM 0 HD13 LEU A2075 -13.589 3.708 -2.032 1.00 0.89 H new ATOM 0 HD21 LEU A2075 -12.897 0.784 -2.694 1.00 1.04 H new ATOM 0 HD22 LEU A2075 -14.133 1.720 -3.568 1.00 1.04 H new ATOM 0 HD23 LEU A2075 -12.800 0.954 -4.463 1.00 1.04 H new ATOM 444 N GLY A2076 -11.514 4.772 -7.427 1.00 1.16 N ATOM 445 CA GLY A2076 -11.639 5.844 -8.407 1.00 1.30 C ATOM 446 C GLY A2076 -12.547 6.949 -7.907 1.00 0.86 C ATOM 447 O GLY A2076 -13.721 7.004 -8.278 1.00 1.11 O ATOM 0 H GLY A2076 -10.563 4.604 -7.100 1.00 1.16 H new ATOM 0 HA2 GLY A2076 -10.653 6.253 -8.628 1.00 1.30 H new ATOM 0 HA3 GLY A2076 -12.033 5.442 -9.340 1.00 1.30 H new ATOM 451 N HIS A2077 -12.015 7.841 -7.069 1.00 0.88 N ATOM 452 CA HIS A2077 -12.880 8.775 -6.347 1.00 0.79 C ATOM 453 C HIS A2077 -12.110 9.843 -5.559 1.00 1.18 C ATOM 454 O HIS A2077 -12.728 10.676 -4.901 1.00 2.09 O ATOM 455 CB HIS A2077 -13.768 7.986 -5.367 1.00 1.03 C ATOM 456 CG HIS A2077 -13.025 7.406 -4.191 1.00 0.93 C ATOM 457 ND1 HIS A2077 -11.675 7.107 -4.216 1.00 1.17 N ATOM 458 CD2 HIS A2077 -13.441 7.122 -2.935 1.00 0.89 C ATOM 459 CE1 HIS A2077 -11.297 6.675 -3.030 1.00 1.04 C ATOM 460 NE2 HIS A2077 -12.349 6.673 -2.232 1.00 0.92 N ATOM 0 H HIS A2077 -11.018 7.936 -6.877 1.00 0.88 H new ATOM 0 HA HIS A2077 -13.472 9.296 -7.100 1.00 0.79 H new ATOM 0 HB2 HIS A2077 -14.555 8.643 -4.997 1.00 1.03 H new ATOM 0 HB3 HIS A2077 -14.257 7.176 -5.909 1.00 1.03 H new ATOM 0 HD2 HIS A2077 -14.446 7.229 -2.555 1.00 0.89 H new ATOM 0 HE1 HIS A2077 -10.296 6.374 -2.757 1.00 1.04 H new ATOM 0 HE2 HIS A2077 -12.351 6.385 -1.253 1.00 0.92 H new ATOM 469 N HIS A2078 -10.782 9.831 -5.601 1.00 1.15 N ATOM 470 CA HIS A2078 -10.017 10.687 -4.696 1.00 1.82 C ATOM 471 C HIS A2078 -8.614 10.961 -5.225 1.00 1.20 C ATOM 472 O HIS A2078 -8.003 10.111 -5.871 1.00 1.46 O ATOM 473 CB HIS A2078 -9.931 10.021 -3.317 1.00 2.98 C ATOM 474 CG HIS A2078 -9.480 10.932 -2.212 1.00 4.08 C ATOM 475 ND1 HIS A2078 -10.306 11.871 -1.635 1.00 5.04 N ATOM 476 CD2 HIS A2078 -8.293 11.031 -1.565 1.00 4.50 C ATOM 477 CE1 HIS A2078 -9.652 12.505 -0.683 1.00 5.96 C ATOM 478 NE2 HIS A2078 -8.430 12.017 -0.617 1.00 5.67 N ATOM 0 H HIS A2078 -10.224 9.256 -6.232 1.00 1.15 H new ATOM 0 HA HIS A2078 -10.533 11.644 -4.620 1.00 1.82 H new ATOM 0 HB2 HIS A2078 -10.911 9.617 -3.061 1.00 2.98 H new ATOM 0 HB3 HIS A2078 -9.244 9.177 -3.378 1.00 2.98 H new ATOM 0 HD2 HIS A2078 -7.406 10.445 -1.758 1.00 4.50 H new ATOM 0 HE1 HIS A2078 -10.051 13.293 -0.061 1.00 5.96 H new ATOM 0 HE2 HIS A2078 -7.704 12.321 0.032 1.00 5.67 H new ATOM 487 N THR A2079 -8.124 12.159 -4.948 1.00 1.12 N ATOM 488 CA THR A2079 -6.753 12.526 -5.256 1.00 0.78 C ATOM 489 C THR A2079 -5.796 11.806 -4.309 1.00 0.67 C ATOM 490 O THR A2079 -5.878 11.970 -3.092 1.00 0.86 O ATOM 491 CB THR A2079 -6.561 14.049 -5.116 1.00 1.25 C ATOM 492 OG1 THR A2079 -7.519 14.735 -5.934 1.00 1.52 O ATOM 493 CG2 THR A2079 -5.153 14.468 -5.511 1.00 1.42 C ATOM 0 H THR A2079 -8.665 12.902 -4.505 1.00 1.12 H new ATOM 0 HA THR A2079 -6.539 12.232 -6.284 1.00 0.78 H new ATOM 0 HB THR A2079 -6.712 14.315 -4.070 1.00 1.25 H new ATOM 0 HG1 THR A2079 -7.395 15.703 -5.841 1.00 1.52 H new ATOM 0 HG21 THR A2079 -5.050 15.548 -5.401 1.00 1.42 H new ATOM 0 HG22 THR A2079 -4.430 13.967 -4.867 1.00 1.42 H new ATOM 0 HG23 THR A2079 -4.968 14.190 -6.549 1.00 1.42 H new ATOM 501 N PRO A2080 -4.879 10.991 -4.862 1.00 0.48 N ATOM 502 CA PRO A2080 -3.932 10.185 -4.074 1.00 0.48 C ATOM 503 C PRO A2080 -3.087 11.030 -3.132 1.00 0.69 C ATOM 504 O PRO A2080 -2.714 10.594 -2.044 1.00 0.70 O ATOM 505 CB PRO A2080 -3.035 9.554 -5.138 1.00 0.56 C ATOM 506 CG PRO A2080 -3.864 9.542 -6.371 1.00 0.56 C ATOM 507 CD PRO A2080 -4.685 10.792 -6.311 1.00 0.50 C ATOM 0 HA PRO A2080 -4.451 9.468 -3.437 1.00 0.48 H new ATOM 0 HB2 PRO A2080 -2.122 10.132 -5.280 1.00 0.56 H new ATOM 0 HB3 PRO A2080 -2.733 8.546 -4.854 1.00 0.56 H new ATOM 0 HG2 PRO A2080 -3.239 9.525 -7.264 1.00 0.56 H new ATOM 0 HG3 PRO A2080 -4.499 8.657 -6.409 1.00 0.56 H new ATOM 0 HD2 PRO A2080 -4.169 11.636 -6.769 1.00 0.50 H new ATOM 0 HD3 PRO A2080 -5.635 10.677 -6.834 1.00 0.50 H new ATOM 515 N GLU A2081 -2.789 12.242 -3.566 1.00 0.93 N ATOM 516 CA GLU A2081 -2.028 13.180 -2.793 1.00 1.22 C ATOM 517 C GLU A2081 -2.762 13.559 -1.505 1.00 1.21 C ATOM 518 O GLU A2081 -2.141 13.873 -0.490 1.00 1.32 O ATOM 519 CB GLU A2081 -1.786 14.400 -3.673 1.00 1.52 C ATOM 520 CG GLU A2081 -1.271 15.589 -2.929 1.00 2.12 C ATOM 521 CD GLU A2081 -0.966 16.760 -3.837 1.00 2.46 C ATOM 522 OE1 GLU A2081 0.140 16.795 -4.413 1.00 2.53 O ATOM 523 OE2 GLU A2081 -1.833 17.648 -3.983 1.00 2.96 O ATOM 0 H GLU A2081 -3.077 12.597 -4.478 1.00 0.93 H new ATOM 0 HA GLU A2081 -1.079 12.740 -2.487 1.00 1.22 H new ATOM 0 HB2 GLU A2081 -1.074 14.136 -4.455 1.00 1.52 H new ATOM 0 HB3 GLU A2081 -2.719 14.669 -4.169 1.00 1.52 H new ATOM 0 HG2 GLU A2081 -2.007 15.894 -2.185 1.00 2.12 H new ATOM 0 HG3 GLU A2081 -0.367 15.310 -2.387 1.00 2.12 H new ATOM 530 N SER A2082 -4.084 13.484 -1.542 1.00 1.13 N ATOM 531 CA SER A2082 -4.903 13.910 -0.421 1.00 1.23 C ATOM 532 C SER A2082 -5.467 12.706 0.342 1.00 0.99 C ATOM 533 O SER A2082 -6.435 12.833 1.093 1.00 1.06 O ATOM 534 CB SER A2082 -6.035 14.811 -0.925 1.00 1.44 C ATOM 535 OG SER A2082 -6.755 15.394 0.149 1.00 1.70 O ATOM 0 H SER A2082 -4.612 13.131 -2.340 1.00 1.13 H new ATOM 0 HA SER A2082 -4.279 14.474 0.272 1.00 1.23 H new ATOM 0 HB2 SER A2082 -5.621 15.598 -1.556 1.00 1.44 H new ATOM 0 HB3 SER A2082 -6.715 14.229 -1.546 1.00 1.44 H new ATOM 0 HG SER A2082 -6.886 14.727 0.855 1.00 1.70 H new ATOM 541 N ILE A2083 -4.880 11.533 0.137 1.00 0.76 N ATOM 542 CA ILE A2083 -5.259 10.357 0.905 1.00 0.55 C ATOM 543 C ILE A2083 -4.732 10.489 2.329 1.00 0.43 C ATOM 544 O ILE A2083 -3.525 10.607 2.546 1.00 0.46 O ATOM 545 CB ILE A2083 -4.717 9.065 0.263 1.00 0.45 C ATOM 546 CG1 ILE A2083 -5.330 8.870 -1.123 1.00 0.58 C ATOM 547 CG2 ILE A2083 -4.989 7.858 1.156 1.00 0.42 C ATOM 548 CD1 ILE A2083 -6.641 8.139 -1.111 1.00 0.47 C ATOM 0 H ILE A2083 -4.144 11.373 -0.551 1.00 0.76 H new ATOM 0 HA ILE A2083 -6.347 10.293 0.917 1.00 0.55 H new ATOM 0 HB ILE A2083 -3.637 9.158 0.153 1.00 0.45 H new ATOM 0 HG12 ILE A2083 -5.474 9.846 -1.587 1.00 0.58 H new ATOM 0 HG13 ILE A2083 -4.625 8.321 -1.747 1.00 0.58 H new ATOM 0 HG21 ILE A2083 -4.597 6.958 0.681 1.00 0.42 H new ATOM 0 HG22 ILE A2083 -4.501 8.001 2.120 1.00 0.42 H new ATOM 0 HG23 ILE A2083 -6.063 7.751 1.305 1.00 0.42 H new ATOM 0 HD11 ILE A2083 -7.012 8.040 -2.131 1.00 0.47 H new ATOM 0 HD12 ILE A2083 -6.501 7.148 -0.678 1.00 0.47 H new ATOM 0 HD13 ILE A2083 -7.363 8.697 -0.515 1.00 0.47 H new ATOM 560 N SER A2084 -5.638 10.505 3.294 1.00 0.38 N ATOM 561 CA SER A2084 -5.255 10.650 4.685 1.00 0.32 C ATOM 562 C SER A2084 -4.811 9.312 5.267 1.00 0.29 C ATOM 563 O SER A2084 -5.558 8.332 5.247 1.00 0.31 O ATOM 564 CB SER A2084 -6.411 11.223 5.498 1.00 0.36 C ATOM 565 OG SER A2084 -6.891 12.426 4.919 1.00 0.42 O ATOM 0 H SER A2084 -6.642 10.419 3.137 1.00 0.38 H new ATOM 0 HA SER A2084 -4.414 11.342 4.736 1.00 0.32 H new ATOM 0 HB2 SER A2084 -7.219 10.493 5.552 1.00 0.36 H new ATOM 0 HB3 SER A2084 -6.083 11.412 6.520 1.00 0.36 H new ATOM 0 HG SER A2084 -7.633 12.774 5.456 1.00 0.42 H new ATOM 571 N PRO A2085 -3.580 9.269 5.787 1.00 0.29 N ATOM 572 CA PRO A2085 -2.965 8.052 6.341 1.00 0.28 C ATOM 573 C PRO A2085 -3.667 7.525 7.585 1.00 0.28 C ATOM 574 O PRO A2085 -3.675 6.319 7.833 1.00 0.33 O ATOM 575 CB PRO A2085 -1.555 8.516 6.705 1.00 0.32 C ATOM 576 CG PRO A2085 -1.709 9.978 6.926 1.00 0.36 C ATOM 577 CD PRO A2085 -2.665 10.418 5.872 1.00 0.36 C ATOM 0 HA PRO A2085 -3.011 7.229 5.628 1.00 0.28 H new ATOM 0 HB2 PRO A2085 -1.187 8.013 7.599 1.00 0.32 H new ATOM 0 HB3 PRO A2085 -0.845 8.305 5.905 1.00 0.32 H new ATOM 0 HG2 PRO A2085 -2.094 10.190 7.924 1.00 0.36 H new ATOM 0 HG3 PRO A2085 -0.754 10.495 6.836 1.00 0.36 H new ATOM 0 HD2 PRO A2085 -3.186 11.334 6.151 1.00 0.36 H new ATOM 0 HD3 PRO A2085 -2.165 10.612 4.923 1.00 0.36 H new ATOM 585 N ALA A2086 -4.244 8.431 8.364 1.00 0.30 N ATOM 586 CA ALA A2086 -4.866 8.066 9.634 1.00 0.36 C ATOM 587 C ALA A2086 -6.231 7.413 9.443 1.00 0.30 C ATOM 588 O ALA A2086 -6.767 6.803 10.369 1.00 0.28 O ATOM 589 CB ALA A2086 -4.992 9.289 10.528 1.00 0.47 C ATOM 0 H ALA A2086 -4.295 9.425 8.140 1.00 0.30 H new ATOM 0 HA ALA A2086 -4.218 7.331 10.111 1.00 0.36 H new ATOM 0 HB1 ALA A2086 -5.457 9.004 11.472 1.00 0.47 H new ATOM 0 HB2 ALA A2086 -4.002 9.702 10.722 1.00 0.47 H new ATOM 0 HB3 ALA A2086 -5.607 10.040 10.033 1.00 0.47 H new ATOM 595 N THR A2087 -6.798 7.538 8.252 1.00 0.32 N ATOM 596 CA THR A2087 -8.117 6.986 7.992 1.00 0.28 C ATOM 597 C THR A2087 -8.026 5.512 7.640 1.00 0.24 C ATOM 598 O THR A2087 -7.059 5.059 7.031 1.00 0.28 O ATOM 599 CB THR A2087 -8.822 7.710 6.839 1.00 0.32 C ATOM 600 OG1 THR A2087 -8.534 9.113 6.887 1.00 0.39 O ATOM 601 CG2 THR A2087 -10.328 7.499 6.904 1.00 0.34 C ATOM 0 H THR A2087 -6.369 8.013 7.458 1.00 0.32 H new ATOM 0 HA THR A2087 -8.694 7.121 8.907 1.00 0.28 H new ATOM 0 HB THR A2087 -8.450 7.294 5.903 1.00 0.32 H new ATOM 0 HG1 THR A2087 -9.108 9.587 6.250 1.00 0.39 H new ATOM 0 HG21 THR A2087 -10.805 8.023 6.075 1.00 0.34 H new ATOM 0 HG22 THR A2087 -10.549 6.434 6.836 1.00 0.34 H new ATOM 0 HG23 THR A2087 -10.710 7.889 7.847 1.00 0.34 H new ATOM 609 N ALA A2088 -9.056 4.783 8.007 1.00 0.23 N ATOM 610 CA ALA A2088 -9.138 3.364 7.722 1.00 0.25 C ATOM 611 C ALA A2088 -9.696 3.167 6.327 1.00 0.22 C ATOM 612 O ALA A2088 -10.656 3.834 5.947 1.00 0.25 O ATOM 613 CB ALA A2088 -10.021 2.675 8.750 1.00 0.32 C ATOM 0 H ALA A2088 -9.861 5.155 8.511 1.00 0.23 H new ATOM 0 HA ALA A2088 -8.143 2.923 7.775 1.00 0.25 H new ATOM 0 HB1 ALA A2088 -10.076 1.610 8.527 1.00 0.32 H new ATOM 0 HB2 ALA A2088 -9.599 2.816 9.745 1.00 0.32 H new ATOM 0 HB3 ALA A2088 -11.022 3.105 8.716 1.00 0.32 H new ATOM 619 N PHE A2089 -9.088 2.253 5.570 1.00 0.21 N ATOM 620 CA PHE A2089 -9.530 1.954 4.205 1.00 0.20 C ATOM 621 C PHE A2089 -11.030 1.710 4.148 1.00 0.24 C ATOM 622 O PHE A2089 -11.692 2.067 3.172 1.00 0.26 O ATOM 623 CB PHE A2089 -8.794 0.734 3.651 1.00 0.21 C ATOM 624 CG PHE A2089 -7.415 1.043 3.151 1.00 0.21 C ATOM 625 CD1 PHE A2089 -7.205 2.086 2.271 1.00 0.40 C ATOM 626 CD2 PHE A2089 -6.332 0.284 3.559 1.00 0.44 C ATOM 627 CE1 PHE A2089 -5.940 2.369 1.804 1.00 0.43 C ATOM 628 CE2 PHE A2089 -5.062 0.562 3.093 1.00 0.48 C ATOM 629 CZ PHE A2089 -4.864 1.626 2.236 1.00 0.34 C ATOM 0 H PHE A2089 -8.285 1.705 5.879 1.00 0.21 H new ATOM 0 HA PHE A2089 -9.296 2.824 3.592 1.00 0.20 H new ATOM 0 HB2 PHE A2089 -8.728 -0.025 4.430 1.00 0.21 H new ATOM 0 HB3 PHE A2089 -9.379 0.305 2.837 1.00 0.21 H new ATOM 0 HD1 PHE A2089 -8.041 2.687 1.945 1.00 0.40 H new ATOM 0 HD2 PHE A2089 -6.481 -0.534 4.249 1.00 0.44 H new ATOM 0 HE1 PHE A2089 -5.792 3.174 1.099 1.00 0.43 H new ATOM 0 HE2 PHE A2089 -4.227 -0.051 3.398 1.00 0.48 H new ATOM 0 HZ PHE A2089 -3.867 1.875 1.905 1.00 0.34 H new ATOM 639 N LYS A2090 -11.550 1.109 5.205 1.00 0.30 N ATOM 640 CA LYS A2090 -12.967 0.859 5.347 1.00 0.40 C ATOM 641 C LYS A2090 -13.765 2.135 5.104 1.00 0.37 C ATOM 642 O LYS A2090 -14.720 2.149 4.329 1.00 0.47 O ATOM 643 CB LYS A2090 -13.226 0.347 6.761 1.00 0.55 C ATOM 644 CG LYS A2090 -14.441 -0.538 6.882 1.00 1.19 C ATOM 645 CD LYS A2090 -15.742 0.244 6.816 1.00 1.79 C ATOM 646 CE LYS A2090 -15.912 1.159 8.021 1.00 2.14 C ATOM 647 NZ LYS A2090 -17.225 1.856 8.010 1.00 2.91 N ATOM 0 H LYS A2090 -10.992 0.780 5.993 1.00 0.30 H new ATOM 0 HA LYS A2090 -13.282 0.118 4.612 1.00 0.40 H new ATOM 0 HB2 LYS A2090 -12.351 -0.207 7.101 1.00 0.55 H new ATOM 0 HB3 LYS A2090 -13.343 1.200 7.429 1.00 0.55 H new ATOM 0 HG2 LYS A2090 -14.426 -1.280 6.084 1.00 1.19 H new ATOM 0 HG3 LYS A2090 -14.396 -1.083 7.825 1.00 1.19 H new ATOM 0 HD2 LYS A2090 -15.763 0.838 5.902 1.00 1.79 H new ATOM 0 HD3 LYS A2090 -16.581 -0.450 6.765 1.00 1.79 H new ATOM 0 HE2 LYS A2090 -15.820 0.574 8.936 1.00 2.14 H new ATOM 0 HE3 LYS A2090 -15.110 1.897 8.032 1.00 2.14 H new ATOM 0 HZ1 LYS A2090 -17.300 2.469 8.847 1.00 2.91 H new ATOM 0 HZ2 LYS A2090 -17.304 2.435 7.149 1.00 2.91 H new ATOM 0 HZ3 LYS A2090 -17.991 1.153 8.026 1.00 2.91 H new ATOM 661 N ASP A2091 -13.347 3.201 5.765 1.00 0.33 N ATOM 662 CA ASP A2091 -14.041 4.480 5.699 1.00 0.35 C ATOM 663 C ASP A2091 -14.001 5.076 4.295 1.00 0.33 C ATOM 664 O ASP A2091 -14.987 5.647 3.835 1.00 0.39 O ATOM 665 CB ASP A2091 -13.430 5.470 6.691 1.00 0.38 C ATOM 666 CG ASP A2091 -14.190 6.781 6.735 1.00 1.03 C ATOM 667 OD1 ASP A2091 -13.786 7.727 6.026 1.00 1.88 O ATOM 668 OD2 ASP A2091 -15.189 6.877 7.478 1.00 1.04 O ATOM 0 H ASP A2091 -12.520 3.207 6.361 1.00 0.33 H new ATOM 0 HA ASP A2091 -15.083 4.295 5.960 1.00 0.35 H new ATOM 0 HB2 ASP A2091 -13.420 5.025 7.686 1.00 0.38 H new ATOM 0 HB3 ASP A2091 -12.393 5.663 6.417 1.00 0.38 H new ATOM 673 N LEU A2092 -12.869 4.935 3.610 1.00 0.30 N ATOM 674 CA LEU A2092 -12.710 5.526 2.289 1.00 0.32 C ATOM 675 C LEU A2092 -13.585 4.823 1.257 1.00 0.30 C ATOM 676 O LEU A2092 -13.895 5.392 0.209 1.00 0.36 O ATOM 677 CB LEU A2092 -11.247 5.490 1.829 1.00 0.34 C ATOM 678 CG LEU A2092 -10.270 6.398 2.590 1.00 0.35 C ATOM 679 CD1 LEU A2092 -10.970 7.643 3.122 1.00 0.73 C ATOM 680 CD2 LEU A2092 -9.584 5.637 3.709 1.00 0.61 C ATOM 0 H LEU A2092 -12.055 4.420 3.947 1.00 0.30 H new ATOM 0 HA LEU A2092 -13.026 6.566 2.370 1.00 0.32 H new ATOM 0 HB2 LEU A2092 -10.890 4.463 1.906 1.00 0.34 H new ATOM 0 HB3 LEU A2092 -11.214 5.761 0.774 1.00 0.34 H new ATOM 0 HG LEU A2092 -9.505 6.726 1.887 1.00 0.35 H new ATOM 0 HD11 LEU A2092 -10.251 8.265 3.656 1.00 0.73 H new ATOM 0 HD12 LEU A2092 -11.391 8.208 2.290 1.00 0.73 H new ATOM 0 HD13 LEU A2092 -11.770 7.348 3.802 1.00 0.73 H new ATOM 0 HD21 LEU A2092 -8.897 6.301 4.233 1.00 0.61 H new ATOM 0 HD22 LEU A2092 -10.333 5.264 4.408 1.00 0.61 H new ATOM 0 HD23 LEU A2092 -9.029 4.797 3.291 1.00 0.61 H new ATOM 692 N GLY A2093 -13.986 3.596 1.554 1.00 0.26 N ATOM 693 CA GLY A2093 -14.865 2.876 0.652 1.00 0.26 C ATOM 694 C GLY A2093 -14.311 1.528 0.258 1.00 0.22 C ATOM 695 O GLY A2093 -14.876 0.843 -0.595 1.00 0.27 O ATOM 0 H GLY A2093 -13.721 3.087 2.398 1.00 0.26 H new ATOM 0 HA2 GLY A2093 -15.837 2.741 1.127 1.00 0.26 H new ATOM 0 HA3 GLY A2093 -15.029 3.474 -0.244 1.00 0.26 H new ATOM 699 N ILE A2094 -13.201 1.153 0.869 1.00 0.22 N ATOM 700 CA ILE A2094 -12.565 -0.119 0.585 1.00 0.19 C ATOM 701 C ILE A2094 -13.400 -1.282 1.098 1.00 0.18 C ATOM 702 O ILE A2094 -13.662 -1.400 2.299 1.00 0.22 O ATOM 703 CB ILE A2094 -11.155 -0.181 1.203 1.00 0.19 C ATOM 704 CG1 ILE A2094 -10.224 0.782 0.471 1.00 0.24 C ATOM 705 CG2 ILE A2094 -10.594 -1.600 1.171 1.00 0.21 C ATOM 706 CD1 ILE A2094 -10.053 0.464 -0.994 1.00 0.28 C ATOM 0 H ILE A2094 -12.720 1.717 1.570 1.00 0.22 H new ATOM 0 HA ILE A2094 -12.481 -0.203 -0.499 1.00 0.19 H new ATOM 0 HB ILE A2094 -11.227 0.119 2.248 1.00 0.19 H new ATOM 0 HG12 ILE A2094 -10.613 1.796 0.571 1.00 0.24 H new ATOM 0 HG13 ILE A2094 -9.247 0.766 0.954 1.00 0.24 H new ATOM 0 HG21 ILE A2094 -9.598 -1.608 1.615 1.00 0.21 H new ATOM 0 HG22 ILE A2094 -11.249 -2.263 1.737 1.00 0.21 H new ATOM 0 HG23 ILE A2094 -10.534 -1.944 0.139 1.00 0.21 H new ATOM 0 HD11 ILE A2094 -9.379 1.190 -1.448 1.00 0.28 H new ATOM 0 HD12 ILE A2094 -9.635 -0.537 -1.103 1.00 0.28 H new ATOM 0 HD13 ILE A2094 -11.022 0.509 -1.491 1.00 0.28 H new ATOM 718 N ASP A2095 -13.831 -2.122 0.176 1.00 0.19 N ATOM 719 CA ASP A2095 -14.488 -3.365 0.536 1.00 0.26 C ATOM 720 C ASP A2095 -13.439 -4.457 0.576 1.00 0.21 C ATOM 721 O ASP A2095 -12.256 -4.179 0.440 1.00 0.23 O ATOM 722 CB ASP A2095 -15.581 -3.753 -0.468 1.00 0.40 C ATOM 723 CG ASP A2095 -16.694 -2.730 -0.570 1.00 0.77 C ATOM 724 OD1 ASP A2095 -17.423 -2.537 0.425 1.00 0.94 O ATOM 725 OD2 ASP A2095 -16.841 -2.107 -1.640 1.00 1.07 O ATOM 0 H ASP A2095 -13.738 -1.967 -0.828 1.00 0.19 H new ATOM 0 HA ASP A2095 -14.967 -3.235 1.506 1.00 0.26 H new ATOM 0 HB2 ASP A2095 -15.130 -3.888 -1.451 1.00 0.40 H new ATOM 0 HB3 ASP A2095 -16.006 -4.714 -0.178 1.00 0.40 H new ATOM 730 N SER A2096 -13.849 -5.694 0.735 1.00 0.30 N ATOM 731 CA SER A2096 -12.892 -6.784 0.657 1.00 0.35 C ATOM 732 C SER A2096 -12.552 -7.051 -0.802 1.00 0.30 C ATOM 733 O SER A2096 -11.499 -7.595 -1.132 1.00 0.38 O ATOM 734 CB SER A2096 -13.451 -8.038 1.320 1.00 0.51 C ATOM 735 OG SER A2096 -14.566 -7.672 2.136 1.00 0.85 O ATOM 0 H SER A2096 -14.814 -5.972 0.915 1.00 0.30 H new ATOM 0 HA SER A2096 -11.983 -6.504 1.190 1.00 0.35 H new ATOM 0 HB2 SER A2096 -13.759 -8.760 0.563 1.00 0.51 H new ATOM 0 HB3 SER A2096 -12.683 -8.519 1.925 1.00 0.51 H new ATOM 740 N LEU A2097 -13.454 -6.618 -1.665 1.00 0.29 N ATOM 741 CA LEU A2097 -13.323 -6.803 -3.101 1.00 0.35 C ATOM 742 C LEU A2097 -12.229 -5.905 -3.656 1.00 0.26 C ATOM 743 O LEU A2097 -11.345 -6.350 -4.380 1.00 0.35 O ATOM 744 CB LEU A2097 -14.656 -6.481 -3.766 1.00 0.50 C ATOM 745 CG LEU A2097 -15.849 -7.073 -3.050 1.00 1.06 C ATOM 746 CD1 LEU A2097 -17.156 -6.594 -3.653 1.00 1.39 C ATOM 747 CD2 LEU A2097 -15.756 -8.570 -3.085 1.00 1.65 C ATOM 0 H LEU A2097 -14.303 -6.125 -1.388 1.00 0.29 H new ATOM 0 HA LEU A2097 -13.050 -7.838 -3.309 1.00 0.35 H new ATOM 0 HB2 LEU A2097 -14.774 -5.399 -3.818 1.00 0.50 H new ATOM 0 HB3 LEU A2097 -14.639 -6.849 -4.792 1.00 0.50 H new ATOM 0 HG LEU A2097 -15.837 -6.736 -2.013 1.00 1.06 H new ATOM 0 HD11 LEU A2097 -17.991 -7.040 -3.113 1.00 1.39 H new ATOM 0 HD12 LEU A2097 -17.215 -5.508 -3.579 1.00 1.39 H new ATOM 0 HD13 LEU A2097 -17.203 -6.889 -4.701 1.00 1.39 H new ATOM 0 HD21 LEU A2097 -16.615 -9.000 -2.570 1.00 1.65 H new ATOM 0 HD22 LEU A2097 -15.747 -8.910 -4.121 1.00 1.65 H new ATOM 0 HD23 LEU A2097 -14.839 -8.889 -2.590 1.00 1.65 H new ATOM 759 N THR A2098 -12.299 -4.636 -3.305 1.00 0.19 N ATOM 760 CA THR A2098 -11.304 -3.668 -3.736 1.00 0.16 C ATOM 761 C THR A2098 -10.041 -3.725 -2.885 1.00 0.15 C ATOM 762 O THR A2098 -9.000 -3.191 -3.270 1.00 0.19 O ATOM 763 CB THR A2098 -11.888 -2.256 -3.726 1.00 0.21 C ATOM 764 OG1 THR A2098 -12.868 -2.140 -2.683 1.00 0.26 O ATOM 765 CG2 THR A2098 -12.516 -1.952 -5.074 1.00 0.27 C ATOM 0 H THR A2098 -13.038 -4.248 -2.719 1.00 0.19 H new ATOM 0 HA THR A2098 -11.022 -3.929 -4.756 1.00 0.16 H new ATOM 0 HB THR A2098 -11.090 -1.538 -3.538 1.00 0.21 H new ATOM 0 HG1 THR A2098 -13.454 -1.377 -2.868 1.00 0.26 H new ATOM 0 HG21 THR A2098 -12.931 -0.944 -5.063 1.00 0.27 H new ATOM 0 HG22 THR A2098 -11.757 -2.023 -5.853 1.00 0.27 H new ATOM 0 HG23 THR A2098 -13.311 -2.670 -5.275 1.00 0.27 H new ATOM 773 N ALA A2099 -10.133 -4.391 -1.741 1.00 0.15 N ATOM 774 CA ALA A2099 -8.979 -4.591 -0.876 1.00 0.19 C ATOM 775 C ALA A2099 -7.885 -5.353 -1.610 1.00 0.22 C ATOM 776 O ALA A2099 -6.703 -5.013 -1.522 1.00 0.29 O ATOM 777 CB ALA A2099 -9.387 -5.342 0.378 1.00 0.21 C ATOM 0 H ALA A2099 -10.998 -4.803 -1.390 1.00 0.15 H new ATOM 0 HA ALA A2099 -8.589 -3.614 -0.591 1.00 0.19 H new ATOM 0 HB1 ALA A2099 -8.515 -5.485 1.016 1.00 0.21 H new ATOM 0 HB2 ALA A2099 -10.141 -4.768 0.917 1.00 0.21 H new ATOM 0 HB3 ALA A2099 -9.799 -6.313 0.103 1.00 0.21 H new ATOM 783 N LEU A2100 -8.284 -6.379 -2.351 1.00 0.22 N ATOM 784 CA LEU A2100 -7.333 -7.182 -3.095 1.00 0.27 C ATOM 785 C LEU A2100 -6.813 -6.410 -4.301 1.00 0.26 C ATOM 786 O LEU A2100 -5.639 -6.498 -4.632 1.00 0.29 O ATOM 787 CB LEU A2100 -7.950 -8.532 -3.500 1.00 0.31 C ATOM 788 CG LEU A2100 -9.300 -8.473 -4.223 1.00 0.33 C ATOM 789 CD1 LEU A2100 -9.119 -8.332 -5.728 1.00 0.36 C ATOM 790 CD2 LEU A2100 -10.127 -9.705 -3.900 1.00 0.40 C ATOM 0 H LEU A2100 -9.256 -6.671 -2.450 1.00 0.22 H new ATOM 0 HA LEU A2100 -6.482 -7.400 -2.450 1.00 0.27 H new ATOM 0 HB2 LEU A2100 -7.240 -9.053 -4.143 1.00 0.31 H new ATOM 0 HB3 LEU A2100 -8.070 -9.137 -2.601 1.00 0.31 H new ATOM 0 HG LEU A2100 -9.831 -7.590 -3.868 1.00 0.33 H new ATOM 0 HD11 LEU A2100 -10.096 -8.293 -6.210 1.00 0.36 H new ATOM 0 HD12 LEU A2100 -8.571 -7.415 -5.944 1.00 0.36 H new ATOM 0 HD13 LEU A2100 -8.560 -9.187 -6.109 1.00 0.36 H new ATOM 0 HD21 LEU A2100 -11.083 -9.648 -4.421 1.00 0.40 H new ATOM 0 HD22 LEU A2100 -9.591 -10.598 -4.222 1.00 0.40 H new ATOM 0 HD23 LEU A2100 -10.302 -9.754 -2.825 1.00 0.40 H new ATOM 802 N GLU A2101 -7.687 -5.627 -4.926 1.00 0.24 N ATOM 803 CA GLU A2101 -7.317 -4.801 -6.069 1.00 0.26 C ATOM 804 C GLU A2101 -6.265 -3.768 -5.685 1.00 0.24 C ATOM 805 O GLU A2101 -5.339 -3.493 -6.452 1.00 0.27 O ATOM 806 CB GLU A2101 -8.563 -4.111 -6.602 1.00 0.29 C ATOM 807 CG GLU A2101 -9.640 -5.086 -7.024 1.00 0.35 C ATOM 808 CD GLU A2101 -9.335 -5.742 -8.354 1.00 0.50 C ATOM 809 OE1 GLU A2101 -10.191 -5.683 -9.262 1.00 0.72 O ATOM 810 OE2 GLU A2101 -8.226 -6.297 -8.511 1.00 0.56 O ATOM 0 H GLU A2101 -8.667 -5.548 -4.656 1.00 0.24 H new ATOM 0 HA GLU A2101 -6.886 -5.438 -6.841 1.00 0.26 H new ATOM 0 HB2 GLU A2101 -8.961 -3.447 -5.835 1.00 0.29 H new ATOM 0 HB3 GLU A2101 -8.291 -3.487 -7.453 1.00 0.29 H new ATOM 0 HG2 GLU A2101 -9.750 -5.855 -6.259 1.00 0.35 H new ATOM 0 HG3 GLU A2101 -10.594 -4.563 -7.090 1.00 0.35 H new ATOM 817 N LEU A2102 -6.423 -3.183 -4.507 1.00 0.21 N ATOM 818 CA LEU A2102 -5.420 -2.294 -3.953 1.00 0.22 C ATOM 819 C LEU A2102 -4.087 -3.019 -3.866 1.00 0.24 C ATOM 820 O LEU A2102 -3.073 -2.561 -4.401 1.00 0.27 O ATOM 821 CB LEU A2102 -5.853 -1.865 -2.565 1.00 0.24 C ATOM 822 CG LEU A2102 -5.372 -0.498 -2.102 1.00 0.28 C ATOM 823 CD1 LEU A2102 -5.782 -0.311 -0.675 1.00 0.65 C ATOM 824 CD2 LEU A2102 -3.870 -0.334 -2.241 1.00 0.57 C ATOM 0 H LEU A2102 -7.244 -3.311 -3.915 1.00 0.21 H new ATOM 0 HA LEU A2102 -5.311 -1.419 -4.594 1.00 0.22 H new ATOM 0 HB2 LEU A2102 -6.942 -1.875 -2.528 1.00 0.24 H new ATOM 0 HB3 LEU A2102 -5.503 -2.611 -1.851 1.00 0.24 H new ATOM 0 HG LEU A2102 -5.828 0.261 -2.738 1.00 0.28 H new ATOM 0 HD11 LEU A2102 -5.446 0.665 -0.325 1.00 0.65 H new ATOM 0 HD12 LEU A2102 -6.868 -0.370 -0.598 1.00 0.65 H new ATOM 0 HD13 LEU A2102 -5.332 -1.092 -0.062 1.00 0.65 H new ATOM 0 HD21 LEU A2102 -3.579 0.659 -1.897 1.00 0.57 H new ATOM 0 HD22 LEU A2102 -3.364 -1.089 -1.639 1.00 0.57 H new ATOM 0 HD23 LEU A2102 -3.586 -0.453 -3.287 1.00 0.57 H new ATOM 836 N ARG A2103 -4.113 -4.163 -3.192 1.00 0.26 N ATOM 837 CA ARG A2103 -2.936 -4.991 -3.021 1.00 0.34 C ATOM 838 C ARG A2103 -2.328 -5.331 -4.379 1.00 0.35 C ATOM 839 O ARG A2103 -1.128 -5.194 -4.581 1.00 0.43 O ATOM 840 CB ARG A2103 -3.314 -6.273 -2.287 1.00 0.48 C ATOM 841 CG ARG A2103 -2.149 -7.219 -2.077 1.00 0.94 C ATOM 842 CD ARG A2103 -2.622 -8.552 -1.535 1.00 0.77 C ATOM 843 NE ARG A2103 -3.374 -9.304 -2.548 1.00 0.94 N ATOM 844 CZ ARG A2103 -2.983 -10.468 -3.074 1.00 1.48 C ATOM 845 NH1 ARG A2103 -1.839 -11.024 -2.706 1.00 2.43 N ATOM 846 NH2 ARG A2103 -3.735 -11.066 -3.991 1.00 1.60 N ATOM 0 H ARG A2103 -4.953 -4.538 -2.751 1.00 0.26 H new ATOM 0 HA ARG A2103 -2.199 -4.443 -2.435 1.00 0.34 H new ATOM 0 HB2 ARG A2103 -3.740 -6.014 -1.318 1.00 0.48 H new ATOM 0 HB3 ARG A2103 -4.092 -6.788 -2.850 1.00 0.48 H new ATOM 0 HG2 ARG A2103 -1.625 -7.371 -3.021 1.00 0.94 H new ATOM 0 HG3 ARG A2103 -1.435 -6.774 -1.384 1.00 0.94 H new ATOM 0 HD2 ARG A2103 -1.764 -9.138 -1.206 1.00 0.77 H new ATOM 0 HD3 ARG A2103 -3.250 -8.389 -0.660 1.00 0.77 H new ATOM 0 HE ARG A2103 -4.257 -8.910 -2.873 1.00 0.94 H new ATOM 0 HH11 ARG A2103 -1.247 -10.563 -2.015 1.00 2.43 H new ATOM 0 HH12 ARG A2103 -1.550 -11.913 -3.114 1.00 2.43 H new ATOM 0 HH21 ARG A2103 -4.610 -10.636 -4.293 1.00 1.60 H new ATOM 0 HH22 ARG A2103 -3.438 -11.955 -4.394 1.00 1.60 H new ATOM 860 N ASN A2104 -3.182 -5.763 -5.302 1.00 0.33 N ATOM 861 CA ASN A2104 -2.781 -6.076 -6.671 1.00 0.38 C ATOM 862 C ASN A2104 -1.973 -4.936 -7.272 1.00 0.39 C ATOM 863 O ASN A2104 -0.909 -5.149 -7.856 1.00 0.48 O ATOM 864 CB ASN A2104 -4.023 -6.333 -7.536 1.00 0.39 C ATOM 865 CG ASN A2104 -4.716 -7.643 -7.211 1.00 0.43 C ATOM 866 OD1 ASN A2104 -4.088 -8.596 -6.748 1.00 0.47 O ATOM 867 ND2 ASN A2104 -6.016 -7.703 -7.466 1.00 0.44 N ATOM 0 H ASN A2104 -4.176 -5.907 -5.121 1.00 0.33 H new ATOM 0 HA ASN A2104 -2.160 -6.971 -6.647 1.00 0.38 H new ATOM 0 HB2 ASN A2104 -4.728 -5.513 -7.401 1.00 0.39 H new ATOM 0 HB3 ASN A2104 -3.733 -6.334 -8.587 1.00 0.39 H new ATOM 0 HD21 ASN A2104 -6.533 -8.562 -7.279 1.00 0.44 H new ATOM 0 HD22 ASN A2104 -6.499 -6.890 -7.850 1.00 0.44 H new ATOM 874 N THR A2105 -2.474 -3.724 -7.093 1.00 0.33 N ATOM 875 CA THR A2105 -1.843 -2.541 -7.647 1.00 0.39 C ATOM 876 C THR A2105 -0.470 -2.291 -7.020 1.00 0.42 C ATOM 877 O THR A2105 0.528 -2.157 -7.733 1.00 0.51 O ATOM 878 CB THR A2105 -2.727 -1.300 -7.442 1.00 0.41 C ATOM 879 OG1 THR A2105 -4.063 -1.572 -7.894 1.00 0.46 O ATOM 880 CG2 THR A2105 -2.163 -0.107 -8.201 1.00 0.51 C ATOM 0 H THR A2105 -3.324 -3.535 -6.563 1.00 0.33 H new ATOM 0 HA THR A2105 -1.713 -2.720 -8.714 1.00 0.39 H new ATOM 0 HB THR A2105 -2.744 -1.061 -6.379 1.00 0.41 H new ATOM 0 HG1 THR A2105 -4.506 -2.175 -7.261 1.00 0.46 H new ATOM 0 HG21 THR A2105 -2.803 0.761 -8.043 1.00 0.51 H new ATOM 0 HG22 THR A2105 -1.158 0.112 -7.839 1.00 0.51 H new ATOM 0 HG23 THR A2105 -2.123 -0.339 -9.265 1.00 0.51 H new ATOM 888 N LEU A2106 -0.412 -2.242 -5.692 1.00 0.42 N ATOM 889 CA LEU A2106 0.840 -1.932 -5.010 1.00 0.55 C ATOM 890 C LEU A2106 1.846 -3.074 -5.135 1.00 0.54 C ATOM 891 O LEU A2106 3.052 -2.844 -5.137 1.00 0.56 O ATOM 892 CB LEU A2106 0.598 -1.533 -3.542 1.00 0.74 C ATOM 893 CG LEU A2106 -0.297 -2.451 -2.706 1.00 0.44 C ATOM 894 CD1 LEU A2106 0.440 -3.713 -2.287 1.00 1.13 C ATOM 895 CD2 LEU A2106 -0.799 -1.706 -1.482 1.00 0.81 C ATOM 0 H LEU A2106 -1.206 -2.410 -5.074 1.00 0.42 H new ATOM 0 HA LEU A2106 1.279 -1.067 -5.508 1.00 0.55 H new ATOM 0 HB2 LEU A2106 1.567 -1.463 -3.047 1.00 0.74 H new ATOM 0 HB3 LEU A2106 0.162 -0.534 -3.531 1.00 0.74 H new ATOM 0 HG LEU A2106 -1.146 -2.750 -3.321 1.00 0.44 H new ATOM 0 HD11 LEU A2106 -0.224 -4.343 -1.695 1.00 1.13 H new ATOM 0 HD12 LEU A2106 0.761 -4.258 -3.174 1.00 1.13 H new ATOM 0 HD13 LEU A2106 1.312 -3.444 -1.691 1.00 1.13 H new ATOM 0 HD21 LEU A2106 -1.435 -2.364 -0.891 1.00 0.81 H new ATOM 0 HD22 LEU A2106 0.050 -1.384 -0.879 1.00 0.81 H new ATOM 0 HD23 LEU A2106 -1.372 -0.834 -1.797 1.00 0.81 H new ATOM 907 N THR A2107 1.350 -4.297 -5.264 1.00 0.56 N ATOM 908 CA THR A2107 2.208 -5.450 -5.503 1.00 0.62 C ATOM 909 C THR A2107 2.880 -5.331 -6.871 1.00 0.60 C ATOM 910 O THR A2107 4.088 -5.522 -7.007 1.00 0.64 O ATOM 911 CB THR A2107 1.404 -6.767 -5.429 1.00 0.69 C ATOM 912 OG1 THR A2107 0.805 -6.900 -4.135 1.00 0.73 O ATOM 913 CG2 THR A2107 2.286 -7.971 -5.705 1.00 0.81 C ATOM 0 H THR A2107 0.356 -4.517 -5.207 1.00 0.56 H new ATOM 0 HA THR A2107 2.971 -5.469 -4.725 1.00 0.62 H new ATOM 0 HB THR A2107 0.628 -6.729 -6.194 1.00 0.69 H new ATOM 0 HG1 THR A2107 -0.089 -6.500 -4.146 1.00 0.73 H new ATOM 0 HG21 THR A2107 1.689 -8.881 -5.645 1.00 0.81 H new ATOM 0 HG22 THR A2107 2.717 -7.885 -6.702 1.00 0.81 H new ATOM 0 HG23 THR A2107 3.086 -8.013 -4.966 1.00 0.81 H new ATOM 921 N HIS A2108 2.083 -4.979 -7.873 1.00 0.58 N ATOM 922 CA HIS A2108 2.576 -4.796 -9.234 1.00 0.62 C ATOM 923 C HIS A2108 3.572 -3.637 -9.309 1.00 0.60 C ATOM 924 O HIS A2108 4.509 -3.662 -10.104 1.00 0.68 O ATOM 925 CB HIS A2108 1.390 -4.553 -10.179 1.00 0.68 C ATOM 926 CG HIS A2108 1.773 -4.190 -11.582 1.00 1.20 C ATOM 927 ND1 HIS A2108 2.134 -5.119 -12.533 1.00 1.74 N ATOM 928 CD2 HIS A2108 1.842 -2.983 -12.193 1.00 2.24 C ATOM 929 CE1 HIS A2108 2.412 -4.500 -13.664 1.00 2.48 C ATOM 930 NE2 HIS A2108 2.243 -3.204 -13.485 1.00 2.81 N ATOM 0 H HIS A2108 1.082 -4.813 -7.767 1.00 0.58 H new ATOM 0 HA HIS A2108 3.101 -5.700 -9.541 1.00 0.62 H new ATOM 0 HB2 HIS A2108 0.774 -5.452 -10.206 1.00 0.68 H new ATOM 0 HB3 HIS A2108 0.772 -3.755 -9.767 1.00 0.68 H new ATOM 0 HD2 HIS A2108 1.622 -2.025 -11.746 1.00 2.24 H new ATOM 0 HE1 HIS A2108 2.725 -4.974 -14.582 1.00 2.48 H new ATOM 0 HE2 HIS A2108 2.387 -2.484 -14.193 1.00 2.81 H new ATOM 939 N ASN A2109 3.367 -2.628 -8.473 1.00 0.57 N ATOM 940 CA ASN A2109 4.207 -1.435 -8.493 1.00 0.64 C ATOM 941 C ASN A2109 5.508 -1.634 -7.719 1.00 0.66 C ATOM 942 O ASN A2109 6.518 -1.003 -8.026 1.00 0.85 O ATOM 943 CB ASN A2109 3.442 -0.240 -7.926 1.00 0.82 C ATOM 944 CG ASN A2109 2.608 0.473 -8.976 1.00 1.61 C ATOM 945 OD1 ASN A2109 3.065 1.433 -9.595 1.00 1.85 O ATOM 946 ND2 ASN A2109 1.383 0.016 -9.184 1.00 2.60 N ATOM 0 H ASN A2109 2.626 -2.611 -7.772 1.00 0.57 H new ATOM 0 HA ASN A2109 4.469 -1.242 -9.533 1.00 0.64 H new ATOM 0 HB2 ASN A2109 2.791 -0.579 -7.120 1.00 0.82 H new ATOM 0 HB3 ASN A2109 4.149 0.465 -7.489 1.00 0.82 H new ATOM 0 HD21 ASN A2109 0.783 0.463 -9.877 1.00 2.60 H new ATOM 0 HD22 ASN A2109 1.039 -0.783 -8.651 1.00 2.60 H new ATOM 953 N THR A2110 5.486 -2.500 -6.717 1.00 0.65 N ATOM 954 CA THR A2110 6.673 -2.745 -5.912 1.00 0.78 C ATOM 955 C THR A2110 7.505 -3.884 -6.491 1.00 0.81 C ATOM 956 O THR A2110 8.735 -3.825 -6.498 1.00 1.02 O ATOM 957 CB THR A2110 6.306 -3.065 -4.450 1.00 0.83 C ATOM 958 OG1 THR A2110 5.320 -4.101 -4.406 1.00 0.72 O ATOM 959 CG2 THR A2110 5.780 -1.826 -3.740 1.00 1.03 C ATOM 0 H THR A2110 4.666 -3.041 -6.443 1.00 0.65 H new ATOM 0 HA THR A2110 7.265 -1.830 -5.930 1.00 0.78 H new ATOM 0 HB THR A2110 7.208 -3.402 -3.939 1.00 0.83 H new ATOM 0 HG1 THR A2110 4.426 -3.701 -4.373 1.00 0.72 H new ATOM 0 HG21 THR A2110 5.528 -2.077 -2.710 1.00 1.03 H new ATOM 0 HG22 THR A2110 6.545 -1.050 -3.748 1.00 1.03 H new ATOM 0 HG23 THR A2110 4.890 -1.463 -4.254 1.00 1.03 H new ATOM 967 N GLY A2111 6.832 -4.920 -6.970 1.00 0.72 N ATOM 968 CA GLY A2111 7.522 -6.035 -7.586 1.00 0.86 C ATOM 969 C GLY A2111 7.505 -7.273 -6.716 1.00 0.88 C ATOM 970 O GLY A2111 7.506 -8.397 -7.217 1.00 1.05 O ATOM 0 H GLY A2111 5.816 -5.008 -6.943 1.00 0.72 H new ATOM 0 HA2 GLY A2111 7.057 -6.262 -8.545 1.00 0.86 H new ATOM 0 HA3 GLY A2111 8.554 -5.752 -7.791 1.00 0.86 H new ATOM 974 N LEU A2112 7.479 -7.071 -5.410 1.00 0.84 N ATOM 975 CA LEU A2112 7.461 -8.180 -4.470 1.00 0.92 C ATOM 976 C LEU A2112 6.030 -8.533 -4.096 1.00 0.80 C ATOM 977 O LEU A2112 5.123 -7.719 -4.243 1.00 0.97 O ATOM 978 CB LEU A2112 8.321 -7.862 -3.236 1.00 1.21 C ATOM 979 CG LEU A2112 8.254 -6.421 -2.714 1.00 1.05 C ATOM 980 CD1 LEU A2112 7.015 -6.197 -1.867 1.00 1.45 C ATOM 981 CD2 LEU A2112 9.506 -6.095 -1.917 1.00 1.34 C ATOM 0 H LEU A2112 7.470 -6.148 -4.975 1.00 0.84 H new ATOM 0 HA LEU A2112 7.900 -9.056 -4.948 1.00 0.92 H new ATOM 0 HB2 LEU A2112 8.023 -8.532 -2.430 1.00 1.21 H new ATOM 0 HB3 LEU A2112 9.360 -8.092 -3.474 1.00 1.21 H new ATOM 0 HG LEU A2112 8.195 -5.753 -3.573 1.00 1.05 H new ATOM 0 HD11 LEU A2112 6.998 -5.166 -1.513 1.00 1.45 H new ATOM 0 HD12 LEU A2112 6.125 -6.390 -2.466 1.00 1.45 H new ATOM 0 HD13 LEU A2112 7.031 -6.874 -1.013 1.00 1.45 H new ATOM 0 HD21 LEU A2112 9.448 -5.070 -1.551 1.00 1.34 H new ATOM 0 HD22 LEU A2112 9.587 -6.778 -1.071 1.00 1.34 H new ATOM 0 HD23 LEU A2112 10.382 -6.203 -2.556 1.00 1.34 H new ATOM 993 N ASP A2113 5.838 -9.757 -3.634 1.00 0.77 N ATOM 994 CA ASP A2113 4.502 -10.298 -3.423 1.00 0.77 C ATOM 995 C ASP A2113 3.996 -10.021 -2.013 1.00 0.92 C ATOM 996 O ASP A2113 4.642 -10.381 -1.030 1.00 1.14 O ATOM 997 CB ASP A2113 4.511 -11.801 -3.694 1.00 0.83 C ATOM 998 CG ASP A2113 3.157 -12.447 -3.472 1.00 0.91 C ATOM 999 OD1 ASP A2113 2.993 -13.154 -2.456 1.00 0.90 O ATOM 1000 OD2 ASP A2113 2.254 -12.260 -4.316 1.00 1.18 O ATOM 0 H ASP A2113 6.594 -10.399 -3.396 1.00 0.77 H new ATOM 0 HA ASP A2113 3.823 -9.803 -4.117 1.00 0.77 H new ATOM 0 HB2 ASP A2113 4.829 -11.978 -4.721 1.00 0.83 H new ATOM 0 HB3 ASP A2113 5.246 -12.278 -3.046 1.00 0.83 H new ATOM 1005 N LEU A2114 2.839 -9.377 -1.927 1.00 1.05 N ATOM 1006 CA LEU A2114 2.223 -9.066 -0.643 1.00 1.34 C ATOM 1007 C LEU A2114 1.044 -9.998 -0.381 1.00 1.00 C ATOM 1008 O LEU A2114 0.318 -10.361 -1.302 1.00 1.04 O ATOM 1009 CB LEU A2114 1.741 -7.607 -0.606 1.00 1.98 C ATOM 1010 CG LEU A2114 2.835 -6.531 -0.648 1.00 2.33 C ATOM 1011 CD1 LEU A2114 3.996 -6.898 0.263 1.00 2.71 C ATOM 1012 CD2 LEU A2114 3.316 -6.297 -2.070 1.00 2.95 C ATOM 0 H LEU A2114 2.306 -9.058 -2.736 1.00 1.05 H new ATOM 0 HA LEU A2114 2.975 -9.208 0.133 1.00 1.34 H new ATOM 0 HB2 LEU A2114 1.070 -7.446 -1.450 1.00 1.98 H new ATOM 0 HB3 LEU A2114 1.153 -7.463 0.301 1.00 1.98 H new ATOM 0 HG LEU A2114 2.401 -5.600 -0.282 1.00 2.33 H new ATOM 0 HD11 LEU A2114 4.757 -6.119 0.214 1.00 2.71 H new ATOM 0 HD12 LEU A2114 3.638 -6.992 1.288 1.00 2.71 H new ATOM 0 HD13 LEU A2114 4.426 -7.846 -0.060 1.00 2.71 H new ATOM 0 HD21 LEU A2114 4.091 -5.530 -2.071 1.00 2.95 H new ATOM 0 HD22 LEU A2114 3.723 -7.224 -2.474 1.00 2.95 H new ATOM 0 HD23 LEU A2114 2.480 -5.969 -2.687 1.00 2.95 H new ATOM 1024 N PRO A2115 0.838 -10.390 0.887 1.00 0.85 N ATOM 1025 CA PRO A2115 -0.246 -11.302 1.277 1.00 0.64 C ATOM 1026 C PRO A2115 -1.626 -10.710 1.030 1.00 0.57 C ATOM 1027 O PRO A2115 -1.839 -9.512 1.217 1.00 0.58 O ATOM 1028 CB PRO A2115 -0.042 -11.484 2.784 1.00 0.76 C ATOM 1029 CG PRO A2115 0.755 -10.303 3.208 1.00 0.98 C ATOM 1030 CD PRO A2115 1.641 -9.973 2.046 1.00 1.10 C ATOM 0 HA PRO A2115 -0.209 -12.226 0.700 1.00 0.64 H new ATOM 0 HB2 PRO A2115 -0.996 -11.526 3.309 1.00 0.76 H new ATOM 0 HB3 PRO A2115 0.483 -12.414 3.002 1.00 0.76 H new ATOM 0 HG2 PRO A2115 0.107 -9.463 3.457 1.00 0.98 H new ATOM 0 HG3 PRO A2115 1.343 -10.527 4.098 1.00 0.98 H new ATOM 0 HD2 PRO A2115 1.880 -8.910 2.010 1.00 1.10 H new ATOM 0 HD3 PRO A2115 2.588 -10.511 2.095 1.00 1.10 H new ATOM 1038 N PRO A2116 -2.592 -11.554 0.622 1.00 0.57 N ATOM 1039 CA PRO A2116 -3.990 -11.141 0.429 1.00 0.62 C ATOM 1040 C PRO A2116 -4.623 -10.648 1.729 1.00 0.58 C ATOM 1041 O PRO A2116 -5.711 -10.071 1.730 1.00 0.68 O ATOM 1042 CB PRO A2116 -4.688 -12.416 -0.061 1.00 0.73 C ATOM 1043 CG PRO A2116 -3.785 -13.534 0.335 1.00 0.75 C ATOM 1044 CD PRO A2116 -2.392 -12.978 0.302 1.00 0.63 C ATOM 0 HA PRO A2116 -4.076 -10.309 -0.270 1.00 0.62 H new ATOM 0 HB2 PRO A2116 -5.673 -12.525 0.394 1.00 0.73 H new ATOM 0 HB3 PRO A2116 -4.836 -12.393 -1.141 1.00 0.73 H new ATOM 0 HG2 PRO A2116 -4.034 -13.902 1.330 1.00 0.75 H new ATOM 0 HG3 PRO A2116 -3.884 -14.376 -0.350 1.00 0.75 H new ATOM 0 HD2 PRO A2116 -1.745 -13.468 1.030 1.00 0.63 H new ATOM 0 HD3 PRO A2116 -1.928 -13.110 -0.676 1.00 0.63 H new ATOM 1052 N THR A2117 -3.919 -10.873 2.827 1.00 0.54 N ATOM 1053 CA THR A2117 -4.352 -10.431 4.140 1.00 0.59 C ATOM 1054 C THR A2117 -3.860 -9.015 4.443 1.00 0.50 C ATOM 1055 O THR A2117 -3.995 -8.538 5.569 1.00 0.54 O ATOM 1056 CB THR A2117 -3.875 -11.397 5.236 1.00 0.73 C ATOM 1057 OG1 THR A2117 -2.543 -11.840 4.947 1.00 0.74 O ATOM 1058 CG2 THR A2117 -4.813 -12.592 5.347 1.00 0.86 C ATOM 0 H THR A2117 -3.028 -11.369 2.831 1.00 0.54 H new ATOM 0 HA THR A2117 -5.442 -10.423 4.132 1.00 0.59 H new ATOM 0 HB THR A2117 -3.879 -10.870 6.190 1.00 0.73 H new ATOM 0 HG1 THR A2117 -2.243 -12.454 5.649 1.00 0.74 H new ATOM 0 HG21 THR A2117 -4.457 -13.263 6.129 1.00 0.86 H new ATOM 0 HG22 THR A2117 -5.816 -12.245 5.596 1.00 0.86 H new ATOM 0 HG23 THR A2117 -4.839 -13.124 4.396 1.00 0.86 H new ATOM 1066 N LEU A2118 -3.229 -8.378 3.450 1.00 0.45 N ATOM 1067 CA LEU A2118 -2.874 -6.958 3.521 1.00 0.45 C ATOM 1068 C LEU A2118 -3.904 -6.129 4.283 1.00 0.41 C ATOM 1069 O LEU A2118 -3.656 -5.666 5.397 1.00 0.43 O ATOM 1070 CB LEU A2118 -2.782 -6.370 2.117 1.00 0.49 C ATOM 1071 CG LEU A2118 -1.417 -6.384 1.442 1.00 0.40 C ATOM 1072 CD1 LEU A2118 -1.232 -5.096 0.656 1.00 0.70 C ATOM 1073 CD2 LEU A2118 -0.299 -6.576 2.454 1.00 0.65 C ATOM 0 H LEU A2118 -2.952 -8.831 2.579 1.00 0.45 H new ATOM 0 HA LEU A2118 -1.919 -6.913 4.045 1.00 0.45 H new ATOM 0 HB2 LEU A2118 -3.480 -6.911 1.478 1.00 0.49 H new ATOM 0 HB3 LEU A2118 -3.126 -5.337 2.161 1.00 0.49 H new ATOM 0 HG LEU A2118 -1.372 -7.230 0.756 1.00 0.40 H new ATOM 0 HD11 LEU A2118 -0.256 -5.103 0.171 1.00 0.70 H new ATOM 0 HD12 LEU A2118 -2.012 -5.016 -0.101 1.00 0.70 H new ATOM 0 HD13 LEU A2118 -1.295 -4.244 1.333 1.00 0.70 H new ATOM 0 HD21 LEU A2118 0.661 -6.581 1.939 1.00 0.65 H new ATOM 0 HD22 LEU A2118 -0.318 -5.760 3.177 1.00 0.65 H new ATOM 0 HD23 LEU A2118 -0.437 -7.524 2.973 1.00 0.65 H new ATOM 1085 N ILE A2119 -5.069 -5.970 3.668 1.00 0.38 N ATOM 1086 CA ILE A2119 -6.116 -5.096 4.184 1.00 0.40 C ATOM 1087 C ILE A2119 -6.902 -5.819 5.280 1.00 0.42 C ATOM 1088 O ILE A2119 -7.833 -5.281 5.878 1.00 0.50 O ATOM 1089 CB ILE A2119 -7.063 -4.661 3.042 1.00 0.42 C ATOM 1090 CG1 ILE A2119 -6.262 -4.311 1.779 1.00 0.40 C ATOM 1091 CG2 ILE A2119 -7.917 -3.473 3.461 1.00 0.42 C ATOM 1092 CD1 ILE A2119 -5.294 -3.163 1.956 1.00 0.33 C ATOM 0 H ILE A2119 -5.315 -6.443 2.798 1.00 0.38 H new ATOM 0 HA ILE A2119 -5.655 -4.204 4.609 1.00 0.40 H new ATOM 0 HB ILE A2119 -7.724 -5.499 2.821 1.00 0.42 H new ATOM 0 HG12 ILE A2119 -5.707 -5.193 1.458 1.00 0.40 H new ATOM 0 HG13 ILE A2119 -6.958 -4.064 0.978 1.00 0.40 H new ATOM 0 HG21 ILE A2119 -8.573 -3.189 2.639 1.00 0.42 H new ATOM 0 HG22 ILE A2119 -8.519 -3.745 4.328 1.00 0.42 H new ATOM 0 HG23 ILE A2119 -7.271 -2.633 3.717 1.00 0.42 H new ATOM 0 HD11 ILE A2119 -4.770 -2.981 1.018 1.00 0.33 H new ATOM 0 HD12 ILE A2119 -5.842 -2.266 2.245 1.00 0.33 H new ATOM 0 HD13 ILE A2119 -4.572 -3.413 2.733 1.00 0.33 H new ATOM 1104 N PHE A2120 -6.498 -7.048 5.534 1.00 0.46 N ATOM 1105 CA PHE A2120 -7.076 -7.866 6.583 1.00 0.53 C ATOM 1106 C PHE A2120 -6.411 -7.522 7.912 1.00 0.52 C ATOM 1107 O PHE A2120 -7.081 -7.299 8.922 1.00 0.60 O ATOM 1108 CB PHE A2120 -6.852 -9.341 6.226 1.00 0.61 C ATOM 1109 CG PHE A2120 -7.524 -10.350 7.115 1.00 1.47 C ATOM 1110 CD1 PHE A2120 -8.514 -11.166 6.603 1.00 1.67 C ATOM 1111 CD2 PHE A2120 -7.158 -10.499 8.443 1.00 2.50 C ATOM 1112 CE1 PHE A2120 -9.132 -12.111 7.394 1.00 2.55 C ATOM 1113 CE2 PHE A2120 -7.773 -11.442 9.242 1.00 3.49 C ATOM 1114 CZ PHE A2120 -8.762 -12.250 8.718 1.00 3.43 C ATOM 0 H PHE A2120 -5.753 -7.511 5.014 1.00 0.46 H new ATOM 0 HA PHE A2120 -8.146 -7.678 6.675 1.00 0.53 H new ATOM 0 HB2 PHE A2120 -7.196 -9.502 5.204 1.00 0.61 H new ATOM 0 HB3 PHE A2120 -5.780 -9.537 6.236 1.00 0.61 H new ATOM 0 HD1 PHE A2120 -8.808 -11.062 5.569 1.00 1.67 H new ATOM 0 HD2 PHE A2120 -6.383 -9.871 8.857 1.00 2.50 H new ATOM 0 HE1 PHE A2120 -9.904 -12.742 6.979 1.00 2.55 H new ATOM 0 HE2 PHE A2120 -7.481 -11.547 10.276 1.00 3.49 H new ATOM 0 HZ PHE A2120 -9.245 -12.988 9.341 1.00 3.43 H new ATOM 1124 N ASP A2121 -5.085 -7.457 7.894 1.00 0.48 N ATOM 1125 CA ASP A2121 -4.316 -7.211 9.108 1.00 0.49 C ATOM 1126 C ASP A2121 -3.925 -5.747 9.239 1.00 0.45 C ATOM 1127 O ASP A2121 -4.008 -5.170 10.324 1.00 0.51 O ATOM 1128 CB ASP A2121 -3.050 -8.065 9.128 1.00 0.50 C ATOM 1129 CG ASP A2121 -2.379 -8.051 10.488 1.00 1.20 C ATOM 1130 OD1 ASP A2121 -2.878 -8.730 11.407 1.00 1.42 O ATOM 1131 OD2 ASP A2121 -1.350 -7.363 10.648 1.00 2.00 O ATOM 0 H ASP A2121 -4.520 -7.571 7.052 1.00 0.48 H new ATOM 0 HA ASP A2121 -4.956 -7.480 9.948 1.00 0.49 H new ATOM 0 HB2 ASP A2121 -3.300 -9.091 8.857 1.00 0.50 H new ATOM 0 HB3 ASP A2121 -2.352 -7.698 8.375 1.00 0.50 H new ATOM 1136 N HIS A2122 -3.505 -5.139 8.135 1.00 0.38 N ATOM 1137 CA HIS A2122 -2.983 -3.774 8.182 1.00 0.37 C ATOM 1138 C HIS A2122 -3.774 -2.834 7.278 1.00 0.34 C ATOM 1139 O HIS A2122 -3.187 -2.239 6.373 1.00 0.32 O ATOM 1140 CB HIS A2122 -1.517 -3.709 7.710 1.00 0.35 C ATOM 1141 CG HIS A2122 -0.638 -4.842 8.139 1.00 0.45 C ATOM 1142 ND1 HIS A2122 -0.423 -6.057 7.577 1.00 0.63 N flip ATOM 1143 CD2 HIS A2122 0.203 -4.770 9.225 1.00 0.51 C flip ATOM 1144 CE1 HIS A2122 0.542 -6.684 8.324 1.00 0.71 C flip ATOM 1145 NE2 HIS A2122 0.903 -5.885 9.312 1.00 0.63 N flip ATOM 0 H HIS A2122 -3.514 -5.561 7.207 1.00 0.38 H new ATOM 0 HA HIS A2122 -3.067 -3.466 9.224 1.00 0.37 H new ATOM 0 HB2 HIS A2122 -1.509 -3.661 6.621 1.00 0.35 H new ATOM 0 HB3 HIS A2122 -1.080 -2.779 8.073 1.00 0.35 H new ATOM 0 HD2 HIS A2122 0.279 -3.931 9.901 1.00 0.51 H new ATOM 0 HE1 HIS A2122 0.941 -7.670 8.135 1.00 0.71 H new ATOM 0 HE2 HIS A2122 1.604 -6.095 10.022 1.00 0.63 H new ATOM 1154 N PRO A2123 -5.096 -2.657 7.453 1.00 0.36 N ATOM 1155 CA PRO A2123 -5.791 -1.726 6.591 1.00 0.34 C ATOM 1156 C PRO A2123 -5.622 -0.291 7.075 1.00 0.32 C ATOM 1157 O PRO A2123 -6.256 0.145 8.040 1.00 0.36 O ATOM 1158 CB PRO A2123 -7.244 -2.177 6.717 1.00 0.40 C ATOM 1159 CG PRO A2123 -7.351 -2.791 8.078 1.00 0.43 C ATOM 1160 CD PRO A2123 -5.976 -3.289 8.448 1.00 0.41 C ATOM 0 HA PRO A2123 -5.420 -1.729 5.566 1.00 0.34 H new ATOM 0 HB2 PRO A2123 -7.928 -1.335 6.611 1.00 0.40 H new ATOM 0 HB3 PRO A2123 -7.501 -2.897 5.940 1.00 0.40 H new ATOM 0 HG2 PRO A2123 -7.704 -2.059 8.804 1.00 0.43 H new ATOM 0 HG3 PRO A2123 -8.070 -3.610 8.076 1.00 0.43 H new ATOM 0 HD2 PRO A2123 -5.705 -2.999 9.463 1.00 0.41 H new ATOM 0 HD3 PRO A2123 -5.918 -4.376 8.401 1.00 0.41 H new ATOM 1168 N THR A2124 -4.770 0.431 6.369 1.00 0.27 N ATOM 1169 CA THR A2124 -4.576 1.864 6.525 1.00 0.23 C ATOM 1170 C THR A2124 -3.552 2.308 5.487 1.00 0.22 C ATOM 1171 O THR A2124 -2.654 1.527 5.166 1.00 0.26 O ATOM 1172 CB THR A2124 -4.087 2.279 7.936 1.00 0.31 C ATOM 1173 OG1 THR A2124 -3.936 1.137 8.788 1.00 0.50 O ATOM 1174 CG2 THR A2124 -5.058 3.246 8.581 1.00 0.29 C ATOM 0 H THR A2124 -4.174 0.024 5.648 1.00 0.27 H new ATOM 0 HA THR A2124 -5.543 2.347 6.387 1.00 0.23 H new ATOM 0 HB THR A2124 -3.119 2.764 7.811 1.00 0.31 H new ATOM 0 HG1 THR A2124 -4.819 0.770 9.003 1.00 0.50 H new ATOM 0 HG21 THR A2124 -4.693 3.523 9.570 1.00 0.29 H new ATOM 0 HG22 THR A2124 -5.145 4.140 7.963 1.00 0.29 H new ATOM 0 HG23 THR A2124 -6.035 2.772 8.674 1.00 0.29 H new ATOM 1182 N PRO A2125 -3.642 3.522 4.939 1.00 0.19 N ATOM 1183 CA PRO A2125 -2.677 3.982 3.939 1.00 0.18 C ATOM 1184 C PRO A2125 -1.251 3.940 4.486 1.00 0.17 C ATOM 1185 O PRO A2125 -0.364 3.322 3.896 1.00 0.20 O ATOM 1186 CB PRO A2125 -3.112 5.418 3.642 1.00 0.22 C ATOM 1187 CG PRO A2125 -4.539 5.482 4.076 1.00 0.25 C ATOM 1188 CD PRO A2125 -4.659 4.537 5.237 1.00 0.24 C ATOM 0 HA PRO A2125 -2.666 3.354 3.048 1.00 0.18 H new ATOM 0 HB2 PRO A2125 -2.500 6.137 4.187 1.00 0.22 H new ATOM 0 HB3 PRO A2125 -3.010 5.651 2.582 1.00 0.22 H new ATOM 0 HG2 PRO A2125 -4.813 6.496 4.368 1.00 0.25 H new ATOM 0 HG3 PRO A2125 -5.207 5.192 3.265 1.00 0.25 H new ATOM 0 HD2 PRO A2125 -4.465 5.036 6.186 1.00 0.24 H new ATOM 0 HD3 PRO A2125 -5.656 4.102 5.303 1.00 0.24 H new ATOM 1196 N HIS A2126 -1.059 4.553 5.652 1.00 0.23 N ATOM 1197 CA HIS A2126 0.251 4.593 6.296 1.00 0.31 C ATOM 1198 C HIS A2126 0.694 3.201 6.728 1.00 0.29 C ATOM 1199 O HIS A2126 1.870 2.866 6.643 1.00 0.32 O ATOM 1200 CB HIS A2126 0.223 5.527 7.513 1.00 0.45 C ATOM 1201 CG HIS A2126 1.498 5.537 8.307 1.00 0.58 C ATOM 1202 ND1 HIS A2126 2.679 6.066 7.837 1.00 0.65 N ATOM 1203 CD2 HIS A2126 1.773 5.058 9.544 1.00 0.71 C ATOM 1204 CE1 HIS A2126 3.624 5.909 8.744 1.00 0.77 C ATOM 1205 NE2 HIS A2126 3.101 5.301 9.792 1.00 0.80 N ATOM 0 H HIS A2126 -1.796 5.030 6.171 1.00 0.23 H new ATOM 0 HA HIS A2126 0.967 4.974 5.567 1.00 0.31 H new ATOM 0 HB2 HIS A2126 0.010 6.541 7.175 1.00 0.45 H new ATOM 0 HB3 HIS A2126 -0.597 5.230 8.167 1.00 0.45 H new ATOM 0 HD2 HIS A2126 1.076 4.574 10.212 1.00 0.71 H new ATOM 0 HE1 HIS A2126 4.652 6.225 8.645 1.00 0.77 H new ATOM 0 HE2 HIS A2126 3.601 5.053 10.646 1.00 0.80 H new ATOM 1214 N ALA A2127 -0.251 2.395 7.188 1.00 0.28 N ATOM 1215 CA ALA A2127 0.069 1.077 7.719 1.00 0.29 C ATOM 1216 C ALA A2127 0.603 0.154 6.633 1.00 0.26 C ATOM 1217 O ALA A2127 1.523 -0.633 6.874 1.00 0.30 O ATOM 1218 CB ALA A2127 -1.142 0.466 8.385 1.00 0.34 C ATOM 0 H ALA A2127 -1.244 2.629 7.205 1.00 0.28 H new ATOM 0 HA ALA A2127 0.854 1.201 8.465 1.00 0.29 H new ATOM 0 HB1 ALA A2127 -0.884 -0.518 8.776 1.00 0.34 H new ATOM 0 HB2 ALA A2127 -1.469 1.107 9.203 1.00 0.34 H new ATOM 0 HB3 ALA A2127 -1.947 0.368 7.657 1.00 0.34 H new ATOM 1224 N LEU A2128 0.023 0.238 5.439 1.00 0.22 N ATOM 1225 CA LEU A2128 0.560 -0.486 4.304 1.00 0.21 C ATOM 1226 C LEU A2128 1.936 0.051 3.960 1.00 0.21 C ATOM 1227 O LEU A2128 2.842 -0.718 3.651 1.00 0.23 O ATOM 1228 CB LEU A2128 -0.356 -0.392 3.090 1.00 0.21 C ATOM 1229 CG LEU A2128 -1.606 -1.266 3.147 1.00 0.37 C ATOM 1230 CD1 LEU A2128 -2.334 -1.213 1.817 1.00 0.60 C ATOM 1231 CD2 LEU A2128 -1.247 -2.704 3.509 1.00 0.64 C ATOM 0 H LEU A2128 -0.808 0.794 5.239 1.00 0.22 H new ATOM 0 HA LEU A2128 0.634 -1.538 4.580 1.00 0.21 H new ATOM 0 HB2 LEU A2128 -0.664 0.646 2.967 1.00 0.21 H new ATOM 0 HB3 LEU A2128 0.216 -0.662 2.202 1.00 0.21 H new ATOM 0 HG LEU A2128 -2.266 -0.881 3.924 1.00 0.37 H new ATOM 0 HD11 LEU A2128 -3.225 -1.839 1.865 1.00 0.60 H new ATOM 0 HD12 LEU A2128 -2.624 -0.185 1.602 1.00 0.60 H new ATOM 0 HD13 LEU A2128 -1.677 -1.577 1.028 1.00 0.60 H new ATOM 0 HD21 LEU A2128 -2.154 -3.308 3.544 1.00 0.64 H new ATOM 0 HD22 LEU A2128 -0.569 -3.110 2.758 1.00 0.64 H new ATOM 0 HD23 LEU A2128 -0.761 -2.723 4.484 1.00 0.64 H new ATOM 1243 N THR A2129 2.090 1.371 4.034 1.00 0.21 N ATOM 1244 CA THR A2129 3.387 2.005 3.837 1.00 0.24 C ATOM 1245 C THR A2129 4.428 1.369 4.744 1.00 0.25 C ATOM 1246 O THR A2129 5.549 1.102 4.326 1.00 0.33 O ATOM 1247 CB THR A2129 3.326 3.518 4.126 1.00 0.27 C ATOM 1248 OG1 THR A2129 2.330 4.131 3.300 1.00 0.27 O ATOM 1249 CG2 THR A2129 4.678 4.176 3.883 1.00 0.32 C ATOM 0 H THR A2129 1.329 2.022 4.230 1.00 0.21 H new ATOM 0 HA THR A2129 3.665 1.860 2.793 1.00 0.24 H new ATOM 0 HB THR A2129 3.063 3.656 5.175 1.00 0.27 H new ATOM 0 HG1 THR A2129 1.439 3.881 3.622 1.00 0.27 H new ATOM 0 HG21 THR A2129 4.607 5.243 4.094 1.00 0.32 H new ATOM 0 HG22 THR A2129 5.425 3.726 4.537 1.00 0.32 H new ATOM 0 HG23 THR A2129 4.972 4.031 2.843 1.00 0.32 H new ATOM 1257 N GLN A2130 4.029 1.110 5.977 1.00 0.25 N ATOM 1258 CA GLN A2130 4.902 0.472 6.949 1.00 0.28 C ATOM 1259 C GLN A2130 5.260 -0.931 6.483 1.00 0.23 C ATOM 1260 O GLN A2130 6.427 -1.300 6.457 1.00 0.22 O ATOM 1261 CB GLN A2130 4.232 0.394 8.324 1.00 0.38 C ATOM 1262 CG GLN A2130 3.573 1.687 8.769 1.00 0.52 C ATOM 1263 CD GLN A2130 2.992 1.595 10.163 1.00 1.39 C ATOM 1264 OE1 GLN A2130 1.842 1.196 10.343 1.00 2.22 O ATOM 1265 NE2 GLN A2130 3.773 1.979 11.155 1.00 1.90 N ATOM 0 H GLN A2130 3.099 1.333 6.331 1.00 0.25 H new ATOM 0 HA GLN A2130 5.806 1.074 7.036 1.00 0.28 H new ATOM 0 HB2 GLN A2130 3.481 -0.396 8.306 1.00 0.38 H new ATOM 0 HB3 GLN A2130 4.979 0.107 9.064 1.00 0.38 H new ATOM 0 HG2 GLN A2130 4.306 2.493 8.737 1.00 0.52 H new ATOM 0 HG3 GLN A2130 2.782 1.948 8.066 1.00 0.52 H new ATOM 0 HE21 GLN A2130 4.721 2.303 10.962 1.00 1.90 H new ATOM 0 HE22 GLN A2130 3.429 1.952 12.115 1.00 1.90 H new ATOM 1274 N HIS A2131 4.245 -1.695 6.091 1.00 0.25 N ATOM 1275 CA HIS A2131 4.444 -3.074 5.647 1.00 0.27 C ATOM 1276 C HIS A2131 5.335 -3.120 4.417 1.00 0.26 C ATOM 1277 O HIS A2131 6.290 -3.892 4.353 1.00 0.30 O ATOM 1278 CB HIS A2131 3.105 -3.740 5.327 1.00 0.32 C ATOM 1279 CG HIS A2131 3.247 -5.147 4.818 1.00 0.40 C ATOM 1280 ND1 HIS A2131 3.779 -6.170 5.570 1.00 0.52 N ATOM 1281 CD2 HIS A2131 2.957 -5.684 3.610 1.00 0.42 C ATOM 1282 CE1 HIS A2131 3.817 -7.271 4.849 1.00 0.59 C ATOM 1283 NE2 HIS A2131 3.322 -7.008 3.656 1.00 0.53 N ATOM 0 H HIS A2131 3.274 -1.383 6.071 1.00 0.25 H new ATOM 0 HA HIS A2131 4.927 -3.616 6.460 1.00 0.27 H new ATOM 0 HB2 HIS A2131 2.487 -3.747 6.225 1.00 0.32 H new ATOM 0 HB3 HIS A2131 2.579 -3.143 4.582 1.00 0.32 H new ATOM 0 HD1 HIS A2131 4.095 -6.088 6.536 1.00 0.52 H new ATOM 0 HD2 HIS A2131 2.520 -5.168 2.767 1.00 0.42 H new ATOM 0 HE1 HIS A2131 4.191 -8.229 5.180 1.00 0.59 H new ATOM 1292 N LEU A2132 4.999 -2.302 3.436 1.00 0.27 N ATOM 1293 CA LEU A2132 5.786 -2.215 2.218 1.00 0.33 C ATOM 1294 C LEU A2132 7.192 -1.714 2.522 1.00 0.35 C ATOM 1295 O LEU A2132 8.148 -2.111 1.867 1.00 0.47 O ATOM 1296 CB LEU A2132 5.109 -1.313 1.178 1.00 0.36 C ATOM 1297 CG LEU A2132 4.046 -1.988 0.297 1.00 0.42 C ATOM 1298 CD1 LEU A2132 4.601 -3.250 -0.342 1.00 0.48 C ATOM 1299 CD2 LEU A2132 2.789 -2.311 1.089 1.00 0.42 C ATOM 0 H LEU A2132 4.185 -1.687 3.459 1.00 0.27 H new ATOM 0 HA LEU A2132 5.856 -3.218 1.797 1.00 0.33 H new ATOM 0 HB2 LEU A2132 4.644 -0.476 1.699 1.00 0.36 H new ATOM 0 HB3 LEU A2132 5.880 -0.896 0.530 1.00 0.36 H new ATOM 0 HG LEU A2132 3.777 -1.283 -0.490 1.00 0.42 H new ATOM 0 HD11 LEU A2132 3.833 -3.712 -0.961 1.00 0.48 H new ATOM 0 HD12 LEU A2132 5.462 -2.996 -0.961 1.00 0.48 H new ATOM 0 HD13 LEU A2132 4.907 -3.948 0.437 1.00 0.48 H new ATOM 0 HD21 LEU A2132 2.059 -2.787 0.435 1.00 0.42 H new ATOM 0 HD22 LEU A2132 3.038 -2.987 1.907 1.00 0.42 H new ATOM 0 HD23 LEU A2132 2.367 -1.391 1.494 1.00 0.42 H new ATOM 1311 N HIS A2133 7.318 -0.858 3.531 1.00 0.28 N ATOM 1312 CA HIS A2133 8.620 -0.347 3.935 1.00 0.34 C ATOM 1313 C HIS A2133 9.413 -1.439 4.646 1.00 0.38 C ATOM 1314 O HIS A2133 10.636 -1.512 4.517 1.00 0.55 O ATOM 1315 CB HIS A2133 8.452 0.884 4.834 1.00 0.36 C ATOM 1316 CG HIS A2133 9.732 1.584 5.172 1.00 0.47 C ATOM 1317 ND1 HIS A2133 10.030 2.053 6.432 1.00 0.59 N ATOM 1318 CD2 HIS A2133 10.775 1.934 4.387 1.00 0.53 C ATOM 1319 CE1 HIS A2133 11.201 2.662 6.408 1.00 0.67 C ATOM 1320 NE2 HIS A2133 11.678 2.601 5.177 1.00 0.63 N ATOM 0 H HIS A2133 6.535 -0.505 4.082 1.00 0.28 H new ATOM 0 HA HIS A2133 9.175 -0.044 3.047 1.00 0.34 H new ATOM 0 HB2 HIS A2133 7.785 1.591 4.340 1.00 0.36 H new ATOM 0 HB3 HIS A2133 7.964 0.579 5.760 1.00 0.36 H new ATOM 0 HD2 HIS A2133 10.879 1.727 3.332 1.00 0.53 H new ATOM 0 HE1 HIS A2133 11.687 3.131 7.251 1.00 0.67 H new ATOM 0 HE2 HIS A2133 12.570 2.986 4.865 1.00 0.63 H new ATOM 1329 N THR A2134 8.704 -2.298 5.371 1.00 0.32 N ATOM 1330 CA THR A2134 9.316 -3.430 6.040 1.00 0.43 C ATOM 1331 C THR A2134 9.894 -4.394 5.008 1.00 0.51 C ATOM 1332 O THR A2134 10.903 -5.045 5.250 1.00 0.66 O ATOM 1333 CB THR A2134 8.295 -4.164 6.936 1.00 0.55 C ATOM 1334 OG1 THR A2134 7.676 -3.232 7.832 1.00 0.59 O ATOM 1335 CG2 THR A2134 8.963 -5.263 7.744 1.00 0.74 C ATOM 0 H THR A2134 7.696 -2.226 5.508 1.00 0.32 H new ATOM 0 HA THR A2134 10.119 -3.057 6.676 1.00 0.43 H new ATOM 0 HB THR A2134 7.543 -4.615 6.288 1.00 0.55 H new ATOM 0 HG1 THR A2134 7.071 -2.647 7.329 1.00 0.59 H new ATOM 0 HG21 THR A2134 8.219 -5.762 8.365 1.00 0.74 H new ATOM 0 HG22 THR A2134 9.416 -5.988 7.068 1.00 0.74 H new ATOM 0 HG23 THR A2134 9.735 -4.829 8.380 1.00 0.74 H new ATOM 1343 N ARG A2135 9.262 -4.444 3.841 1.00 0.52 N ATOM 1344 CA ARG A2135 9.727 -5.282 2.744 1.00 0.71 C ATOM 1345 C ARG A2135 11.168 -4.950 2.365 1.00 0.88 C ATOM 1346 O ARG A2135 11.938 -5.827 1.978 1.00 1.12 O ATOM 1347 CB ARG A2135 8.817 -5.112 1.533 1.00 0.76 C ATOM 1348 CG ARG A2135 7.427 -5.685 1.741 1.00 0.74 C ATOM 1349 CD ARG A2135 7.479 -7.168 2.085 1.00 0.86 C ATOM 1350 NE ARG A2135 8.364 -7.910 1.181 1.00 1.75 N ATOM 1351 CZ ARG A2135 8.169 -9.171 0.801 1.00 2.11 C ATOM 1352 NH1 ARG A2135 7.126 -9.855 1.247 1.00 1.86 N ATOM 1353 NH2 ARG A2135 9.027 -9.746 -0.026 1.00 3.18 N ATOM 0 H ARG A2135 8.420 -3.909 3.630 1.00 0.52 H new ATOM 0 HA ARG A2135 9.695 -6.320 3.076 1.00 0.71 H new ATOM 0 HB2 ARG A2135 8.733 -4.051 1.296 1.00 0.76 H new ATOM 0 HB3 ARG A2135 9.277 -5.596 0.671 1.00 0.76 H new ATOM 0 HG2 ARG A2135 6.925 -5.142 2.542 1.00 0.74 H new ATOM 0 HG3 ARG A2135 6.834 -5.541 0.838 1.00 0.74 H new ATOM 0 HD2 ARG A2135 7.824 -7.290 3.112 1.00 0.86 H new ATOM 0 HD3 ARG A2135 6.474 -7.588 2.034 1.00 0.86 H new ATOM 0 HE ARG A2135 9.186 -7.427 0.818 1.00 1.75 H new ATOM 0 HH11 ARG A2135 6.464 -9.416 1.887 1.00 1.86 H new ATOM 0 HH12 ARG A2135 6.985 -10.821 0.950 1.00 1.86 H new ATOM 0 HH21 ARG A2135 9.833 -9.223 -0.369 1.00 3.18 H new ATOM 0 HH22 ARG A2135 8.882 -10.712 -0.320 1.00 3.18 H new ATOM 1367 N LEU A2136 11.532 -3.680 2.488 1.00 0.92 N ATOM 1368 CA LEU A2136 12.869 -3.239 2.148 1.00 1.20 C ATOM 1369 C LEU A2136 13.796 -3.330 3.352 1.00 1.16 C ATOM 1370 O LEU A2136 14.975 -3.651 3.215 1.00 1.43 O ATOM 1371 CB LEU A2136 12.858 -1.802 1.635 1.00 1.43 C ATOM 1372 CG LEU A2136 12.107 -1.544 0.325 1.00 1.71 C ATOM 1373 CD1 LEU A2136 12.136 -2.765 -0.590 1.00 2.17 C ATOM 1374 CD2 LEU A2136 10.683 -1.104 0.609 1.00 2.37 C ATOM 0 H LEU A2136 10.915 -2.939 2.822 1.00 0.92 H new ATOM 0 HA LEU A2136 13.236 -3.898 1.361 1.00 1.20 H new ATOM 0 HB2 LEU A2136 12.422 -1.168 2.407 1.00 1.43 H new ATOM 0 HB3 LEU A2136 13.891 -1.480 1.504 1.00 1.43 H new ATOM 0 HG LEU A2136 12.617 -0.737 -0.201 1.00 1.71 H new ATOM 0 HD11 LEU A2136 11.593 -2.544 -1.509 1.00 2.17 H new ATOM 0 HD12 LEU A2136 13.169 -3.015 -0.830 1.00 2.17 H new ATOM 0 HD13 LEU A2136 11.666 -3.609 -0.085 1.00 2.17 H new ATOM 0 HD21 LEU A2136 10.163 -0.925 -0.332 1.00 2.37 H new ATOM 0 HD22 LEU A2136 10.165 -1.885 1.167 1.00 2.37 H new ATOM 0 HD23 LEU A2136 10.696 -0.186 1.197 1.00 2.37 H new ATOM 1386 N THR A2137 13.253 -3.050 4.529 1.00 0.96 N ATOM 1387 CA THR A2137 14.047 -3.008 5.745 1.00 1.08 C ATOM 1388 C THR A2137 14.348 -4.416 6.258 1.00 1.17 C ATOM 1389 O THR A2137 15.256 -4.616 7.069 1.00 1.41 O ATOM 1390 CB THR A2137 13.331 -2.192 6.837 1.00 1.13 C ATOM 1391 OG1 THR A2137 12.025 -2.727 7.076 1.00 1.23 O ATOM 1392 CG2 THR A2137 13.211 -0.728 6.427 1.00 1.15 C ATOM 0 H THR A2137 12.263 -2.848 4.665 1.00 0.96 H new ATOM 0 HA THR A2137 14.992 -2.521 5.504 1.00 1.08 H new ATOM 0 HB THR A2137 13.923 -2.255 7.750 1.00 1.13 H new ATOM 0 HG1 THR A2137 11.642 -2.309 7.875 1.00 1.23 H new ATOM 0 HG21 THR A2137 12.702 -0.171 7.213 1.00 1.15 H new ATOM 0 HG22 THR A2137 14.206 -0.311 6.272 1.00 1.15 H new ATOM 0 HG23 THR A2137 12.639 -0.655 5.502 1.00 1.15 H new ATOM 1400 N GLN A2138 13.568 -5.382 5.783 1.00 1.17 N ATOM 1401 CA GLN A2138 13.777 -6.787 6.099 1.00 1.45 C ATOM 1402 C GLN A2138 15.173 -7.240 5.688 1.00 1.71 C ATOM 1403 O GLN A2138 15.910 -7.801 6.499 1.00 2.00 O ATOM 1404 CB GLN A2138 12.727 -7.626 5.373 1.00 1.78 C ATOM 1405 CG GLN A2138 11.464 -7.873 6.183 1.00 1.32 C ATOM 1406 CD GLN A2138 11.699 -8.763 7.387 1.00 1.91 C ATOM 1407 OE1 GLN A2138 12.577 -9.621 7.377 1.00 2.46 O ATOM 1408 NE2 GLN A2138 10.913 -8.566 8.433 1.00 2.57 N ATOM 0 H GLN A2138 12.773 -5.210 5.168 1.00 1.17 H new ATOM 0 HA GLN A2138 13.682 -6.920 7.177 1.00 1.45 H new ATOM 0 HB2 GLN A2138 12.458 -7.126 4.442 1.00 1.78 H new ATOM 0 HB3 GLN A2138 13.167 -8.586 5.103 1.00 1.78 H new ATOM 0 HG2 GLN A2138 11.060 -6.917 6.517 1.00 1.32 H new ATOM 0 HG3 GLN A2138 10.711 -8.330 5.541 1.00 1.32 H new ATOM 0 HE21 GLN A2138 10.195 -7.842 8.402 1.00 2.57 H new ATOM 0 HE22 GLN A2138 11.025 -9.138 9.270 1.00 2.57 H new ATOM 1417 N SER A2139 15.531 -6.968 4.434 1.00 1.82 N ATOM 1418 CA SER A2139 16.834 -7.347 3.889 1.00 2.34 C ATOM 1419 C SER A2139 17.044 -8.864 3.916 1.00 2.85 C ATOM 1420 O SER A2139 16.199 -9.624 4.402 1.00 3.41 O ATOM 1421 CB SER A2139 17.956 -6.643 4.653 1.00 2.99 C ATOM 1422 OG SER A2139 17.775 -5.238 4.647 1.00 3.48 O ATOM 0 H SER A2139 14.929 -6.481 3.770 1.00 1.82 H new ATOM 0 HA SER A2139 16.858 -7.030 2.846 1.00 2.34 H new ATOM 0 HB2 SER A2139 17.983 -7.005 5.681 1.00 2.99 H new ATOM 0 HB3 SER A2139 18.917 -6.891 4.203 1.00 2.99 H new ATOM 0 HG SER A2139 18.505 -4.812 5.143 1.00 3.48 H new ATOM 1428 N HIS A2140 18.165 -9.307 3.372 1.00 3.20 N ATOM 1429 CA HIS A2140 18.508 -10.718 3.381 1.00 4.12 C ATOM 1430 C HIS A2140 19.837 -10.920 4.094 1.00 4.36 C ATOM 1431 O HIS A2140 19.826 -11.352 5.263 1.00 4.66 O ATOM 1432 CB HIS A2140 18.575 -11.266 1.956 1.00 4.76 C ATOM 1433 CG HIS A2140 18.776 -12.751 1.886 1.00 5.33 C ATOM 1434 ND1 HIS A2140 20.000 -13.340 1.648 1.00 6.07 N ATOM 1435 CD2 HIS A2140 17.894 -13.768 2.019 1.00 5.72 C ATOM 1436 CE1 HIS A2140 19.860 -14.652 1.639 1.00 6.78 C ATOM 1437 NE2 HIS A2140 18.592 -14.939 1.863 1.00 6.61 N ATOM 1438 OXT HIS A2140 20.884 -10.614 3.497 1.00 4.63 O ATOM 0 H HIS A2140 18.854 -8.708 2.918 1.00 3.20 H new ATOM 0 HA HIS A2140 17.732 -11.265 3.917 1.00 4.12 H new ATOM 0 HB2 HIS A2140 17.653 -11.009 1.434 1.00 4.76 H new ATOM 0 HB3 HIS A2140 19.390 -10.773 1.425 1.00 4.76 H new ATOM 0 HD2 HIS A2140 16.835 -13.675 2.212 1.00 5.72 H new ATOM 0 HE1 HIS A2140 20.650 -15.370 1.476 1.00 6.78 H new ATOM 0 HE2 HIS A2140 18.195 -15.877 1.912 1.00 6.61 H new TER 1447 HIS A2140 HETATM 1448 P24 66S A2201 -15.592 -8.805 2.482 1.00 1.26 P HETATM 1449 O26 66S A2201 -15.616 -9.851 1.449 1.00 2.02 O HETATM 1450 O23 66S A2201 -15.330 -9.393 3.811 1.00 2.14 O HETATM 1451 O27 66S A2201 -16.906 -7.923 2.472 1.00 1.51 O HETATM 1452 C28 66S A2201 -17.996 -8.340 1.615 1.00 1.76 C HETATM 1453 C29 66S A2201 -19.190 -8.820 2.498 1.00 2.58 C HETATM 1454 C30 66S A2201 -20.265 -7.723 2.520 1.00 3.17 C HETATM 1455 C31 66S A2201 -18.714 -9.082 3.940 1.00 3.36 C HETATM 1456 C32 66S A2201 -19.803 -10.130 1.906 1.00 3.14 C HETATM 1457 O33 66S A2201 -20.522 -9.827 0.708 1.00 3.66 O HETATM 1458 C34 66S A2201 -18.731 -11.157 1.568 1.00 3.77 C HETATM 1459 O35 66S A2201 -18.141 -11.815 2.408 1.00 4.48 O HETATM 1460 N36 66S A2201 -18.477 -11.296 0.258 1.00 3.99 N HETATM 1461 C37 66S A2201 -17.465 -12.230 -0.255 1.00 4.65 C HETATM 1462 C38 66S A2201 -16.572 -11.576 -1.322 1.00 5.05 C HETATM 1463 C39 66S A2201 -15.150 -12.066 -1.194 1.00 5.31 C HETATM 1464 O40 66S A2201 -14.745 -13.086 -1.727 1.00 6.12 O HETATM 1465 N41 66S A2201 -14.349 -11.294 -0.451 1.00 4.83 N HETATM 1466 C42 66S A2201 -12.962 -11.010 -0.821 1.00 4.77 C HETATM 1467 C43 66S A2201 -11.969 -11.506 0.248 1.00 4.00 C HETATM 1468 S1 66S A2201 -12.687 -11.473 1.921 1.00 3.68 S HETATM 1469 C1 66S A2201 -11.453 -10.540 2.760 1.00 3.22 C HETATM 1470 O1 66S A2201 -10.341 -10.367 2.294 1.00 3.95 O HETATM 1471 C2 66S A2201 -11.887 -9.980 4.097 1.00 2.52 C HETATM 1472 C3 66S A2201 -10.806 -9.031 4.654 1.00 2.11 C HETATM 1473 C4 66S A2201 -11.423 -8.029 5.651 1.00 1.89 C HETATM 1474 C5 66S A2201 -12.154 -6.899 4.896 1.00 1.41 C HETATM 1475 C6 66S A2201 -12.979 -6.048 5.880 1.00 1.16 C HETATM 1476 C7 66S A2201 -12.469 -4.599 5.898 1.00 1.33 C HETATM 1477 C8 66S A2201 -12.864 -3.876 4.604 1.00 1.42 C